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2003-02-27 Steven G. Johnson <stevenj@ab-initio>
* NEWS: tense
* NEWS, ChangeLog: updated
* mpb-ctl/mpb.scm.in:
bug fix: kdir is in reciprocal coordinates. Thanks to Suxia (Susan)
Yang for tracking down this bug.
2003-02-25 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/epsilon.c: fixed SunOS problem where guile 1/infinity
and C 1/infinity give apparently different results...thanks to
Benjamin Cowan for the bug report
2003-02-21 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: change prompt to mpb>
2003-01-21 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/sq-rods.ctl: whoops
* mpb-ctl/examples/sq-rods.ctl: GaAs is n=11.56
2002-12-17 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: fixed find-k for band-min != 0; thanks to
M. Povinelli
2002-12-14 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: fix find-k to work for thunk band functions
2002-12-03 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/tri-holes.ctl: added k-interp
2002-12-02 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/hole-slab.ctl: use k-interp param
2002-11-02 Steven G. Johnson <stevenj@ab-initio>
* doc/installation.html: typo
2002-10-24 Steven G. Johnson <stevenj@ab-initio>
* acx_mpi.m4: check for mpich lib
2002-09-26 Steven G. Johnson <stevenj@ab-initio>
* acx_mpi.m4: added whitespace
2002-09-24 Steven G. Johnson <stevenj@ab-initio>
* acx_mpi.m4: slight comment fix
* acx_mpi.m4: fixed punctuation
* acx_mpi.m4, configure.ac: use new acx_mpi.m4
2002-09-20 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: freqs: line should list headings as "k1, k2, k3"
instead of "kx, ky, kz" since they are in reciprocal-lattice, not
cartesian, coords. Thanks to Theis Peter Hanson for the
suggestion.
2002-09-17 Steven G. Johnson <stevenj@ab-initio>
* NEWS, mpb-ctl/epsilon.c: don't resize lattice basis for
grid-size==1 unless no-size specified; thanks to Tairan Wang
2002-09-15 Steven G. Johnson <stevenj@ab-initio>
* NEWS: updated
* mpb-ctl/epsilon.c, mpb-ctl/field-smob.c, mpb-ctl/fields.c,
mpb-ctl/mpb.c, mpb-ctl/mpb.h: whoops, take absolute value of Rm
determinant for volume; thanks to Rumen Iliew for the bug report
2002-09-14 Steven G. Johnson <stevenj@ab-initio>
* configure.ac, mpb-ctl/my-smob.h: improved smob
compatibility...grrr, damn guile
* mpb-ctl/Makefile.in, src/matrices/Makefile.in,
src/matrixio/Makefile.in, src/maxwell/Makefile.in,
src/util/Makefile.in, tests/Makefile.in, utils/Makefile.in: put my
CPPFLAGS *first*; thanks to Cazimir G. Bostan for the bug report
2002-09-13 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: include field-smob.h
* ChangeLog, NEWS: updated
* mpb-ctl/field-smob.c: whoops
* configure.ac, mpb-ctl/my-smob.h: guile-1.3.4 has
scm_make_smob_type but not SCM_SMOB_PREDICATE (sigh)
* mpb-ctl/field-smob.c, mpb-ctl/matrix-smob.c: whoops, fix guile
1.3 smob support
* NEWS: dated release
* mpb-ctl/mpb.scm.in: whoops
2002-09-11 Steven G. Johnson <stevenj@ab-initio>
* doc/user-ref.html: whoops
* doc/user-ref.html, mpb-ctl/field-smob.c, mpb-ctl/fields.c,
mpb-ctl/mpb.scm.in: made Bloch phase handling more sane,
maybe...maybe I should just bite the bullet and include the phase
in the loaded fields, at some point?
* mpb-ctl/fields.c: whoops, no kvector for c fields
* mpb-ctl/mpb.scm.in, mpb-ctl/my-smob.h: whoops
* configure.ac: bumped version
* configure.ac, mpb-ctl/Makefile.in, mpb-ctl/field-smob.c,
mpb-ctl/field-smob.h, mpb-ctl/matrix-smob.c,
mpb-ctl/matrix-smob.h, mpb-ctl/my-smob.h, mpb-ctl/smob.h: use new
Guile smob functions
* mpb-ctl/mpb.scm.in: whoops
* NEWS, TODO, doc/index.html, doc/user-ref.html,
mpb-ctl/matrix-smob.c, mpb-ctl/mpb.scm.in: documented and cleaned
up new interfaces
2002-09-10 Steven G. Johnson <stevenj@ab-initio>
* src/matrixio/evectmatrixio.c: include SCALAR_NUMVALS in c
dimension, not p dimension
2002-09-06 Steven G. Johnson <stevenj@ab-initio>
* ChangeLog: updated
2002-08-27 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/dos.scm: comment
* mpb-ctl/examples/dos.scm: first arg to interpolate must be
non-negative
* mpb-ctl/examples/dos.scm: minor
* mpb-ctl/examples/dos.scm: fixed hyphenation
* mpb-ctl/examples/dos.scm: credit Doug
* mpb-ctl/examples/dos.scm: some fixes
* mpb-ctl/examples/dos.scm: remove debugging print
* mpb-ctl/examples/dos.scm: include dos.scm in example doc
* mpb-ctl/examples/dos.scm: added example density-of-states
function
2002-06-19 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: whoops, find-k was outputting in reverse
order
2002-06-13 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: added find-k routine to solve for k's at a
given a frequency
* mpb-ctl/mpb.c: don't print error if randomize-fields is called
before init-params, so that we can ensure that fields are random
when calling run-parity without knowing whether run was already
called.
2002-06-12 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: print messages to remind when options like
--with-inv-symmetry are set
2002-06-11 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/field-smob.c: fixed handling of curfield='-'
2002-06-10 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/fields.c: whoops, fixed field normalization for non-unit
cells
2002-06-03 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: warn if zlib is not found (thanks to Kevin
Hennessy for the bug report)
2002-04-30 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/fields.c: fixed floating-point error on Alphas for
homogeneous structures, reported by F. Lopez-Tejeira
2002-04-17 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: make sure libctl is an appropriate version; thanks
to Patricia Max for the suggestion
2002-04-03 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/epsilon.c: fixed error message (--with-hermitian-epsilon
is not --with-hermitian-eps)
* mpb-ctl/epsilon.c: fix check of real epsilon-offdiag for
non-hermitian-eps (thanks to Doug Allan)
2002-03-24 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/field-smob.c: integrate-fields passes position vector
2002-03-23 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/field-smob.c, mpb-ctl/field-smob.h, mpb-ctl/fields.c,
mpb-ctl/matrix-smob.c, mpb-ctl/matrix-smob.h: added assert_*_smob
functions to replace SAFE_*, getting rid of many compiler warnings
as well as CHECK statements
* mpb-ctl/smob.h: use SCM2PTR, like Guile source, to be safe;
still doesn't eliminate annoying warnings
* mpb-ctl/field-smob.c, mpb-ctl/field-smob.h, mpb-ctl/fields.c,
mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in: fixed whoopses, added
*-field-get-point (FIXME: handle arbitrary smobs) (FIXME: save k
in smob?)
* mpb-ctl/field-smob.c, mpb-ctl/fields.c: checked in fields.c
(whoops) and RENORMALIZED FIELDS and INTEGRALS: all integrals are
now integrals and not sums (i.e. we include the dV factor) and
fields are properly unit-normalized
2002-03-22 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/field-smob.c: whoops
* mpb-ctl/Makefile.in, mpb-ctl/field-smob.c, mpb-ctl/field-smob.h,
mpb-ctl/mpb.c, mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in,
src/util/check.h, src/util/debug_malloc.c: added field-smob
2002-03-21 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/matrix-smob.c: use CHK_MALLOC
* mpb-ctl/matrix-smob.c: whoops
* mpb-ctl/matrix-smob.c: allow very small imaginary part in
scale_eigenvector for mpbi (since we can get this in the
phase-fixing routines just by fp error)
* mpb-ctl/mpb.scm.in: get rid of debugging print
* mpb-ctl/matrix-smob.c: get rid of debugging printf
* tests/blastest.c: whoops
* mpb-ctl/Makefile.in, mpb-ctl/epsilon.c, mpb-ctl/matrix-smob.c,
mpb-ctl/matrix-smob.h, mpb-ctl/mpb.c, mpb-ctl/mpb.h,
mpb-ctl/mpb.scm.in, mpb-ctl/smob.h, src/matrices/blasglue.c,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/evectmatrix.c, src/matrices/matrices.h,
src/matrices/sqmatrix.c: added evectmatrix/sqmatrix smobs and
several new functions, split mpb.c source files, mpb-split now
uses full path...
2002-03-20 Steven G. Johnson <stevenj@ab-initio>
* src/maxwell/maxwell_eps.c: fixed Stroud code URL
2002-03-19 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: allow-negative-epsilon should use the
targeted solver
2002-03-14 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/Makefile.in, mpb-ctl/mpb-split.1, mpb-ctl/mpb.1,
utils/mpb-data.1: man page cleanups, added mpb-split man page
2002-03-13 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/Makefile.in: whoops, slight fix
* mpb-ctl/Makefile.in: 'make install' (and in particular,
installing mpb-split) should not write to the source directory.
(This was biting me on NFS systems where root didn't have write
access to my home directory.)
* mpb-ctl/Makefile.in, utils/Makefile.in: use mandir
* doc/developer.html, doc/license.html: fixed OE url, added bibtex
2002-03-11 Steven G. Johnson <stevenj@ab-initio>
* NEWS: S. Lantz is at Cornell, not Corning.
* doc/license.html: whoops, updated copyright year
2002-03-11 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/epsilon_file.c: included missing header
* mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c: whoops, slight fix
* NEWS: added release date
2002-03-10 Steven G. Johnson <stevenj@ab-initio>
* doc/analysis-tutorial.html: fixed h5utils URL
2002-03-09 Steven G. Johnson <stevenj@ab-initio>
* AUTHORS: added AUTHORS file to be GNU-ly correct
2002-03-08 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: use ctl_fix_path on epsilon_input_file in case
user is running ctl file from another directory (thanks to Alexey
Yamilov for bugging me)
2002-03-07 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: fix typo
* doc/user-ref.html: noted no-size orthogonality
* doc/user-ref.html: fixed typo
* ChangeLog, NEWS, configure.ac: updated version
* COPYRIGHT, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.1, mpb-ctl/mpb.c,
mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in, src/matrices/blasglue.c,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/eigensolver.h, src/matrices/eigensolver_davidson.c,
src/matrices/eigensolver_utils.c, src/matrices/evectmatrix.c,
src/matrices/linmin.c, src/matrices/linmin.h,
src/matrices/matrices.c, src/matrices/matrices.h,
src/matrices/scalar.h, src/matrices/sqmatrix.c,
src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h,
src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_constraints.c, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/util/check.h, src/util/debug_malloc.c, src/util/mpi_utils.c,
src/util/mpi_utils.h, src/util/mpiglue.h, tests/blastest.c,
tests/eigs_test.c, tests/malloctest.c, tests/maxwell_test.c,
utils/mpb-data.1, utils/mpb-data.c: 2002 copyright year update
* configure.ac, doc/user-ref.html, mpb-ctl/mpb.c,
mpb-ctl/mpb.scm.in: use Scheme complex numbers
* mpb-ctl/mpb.scm.in: made usage of define-property consistent
with latest rev. of libctl
2002-02-27 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: fixed bug in zdotc detection (thanks to Steve
Lantz)
* doc/installation.html: Added "Fun with Fortran" section (thanks
to Steve Lantz for the suggestion).
* src/maxwell/maxwell_eps.c: Fixed bug that would cause compile
failure with Fortran compilers using upper case. (Thanks to Steve
Lantz of Corning.)
2002-02-25 Steven G. Johnson <stevenj@ab-initio>
* acx_lapack.m4: check for lapack_rs6k library name
2002-02-13 Steven G. Johnson <stevenj@ab-initio>
* ChangeLog: updated
2002-02-12 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: fixed (I think) conjugation in field routines...E
is multiplied by i, so it is conjugated along with H
2002-02-09 Steven G. Johnson <stevenj@ab-initio>
* doc/license.html: don't recommend referencing the web site
2002-01-21 Steven G. Johnson <stevenj@ab-initio>
* doc/user-ref.html: fixed typo (thanks, Mihai)
2002-01-19 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: reorganized get-*-point functions
2002-01-18 Steven G. Johnson <stevenj@ab-initio>
* Makefile.in: make snapshot and make dist now run
autoheader/autoconf in the same order
* Makefile.in: make snapshot runs autoheader
* Makefile.in: include install-sh, etc., in snapshot
* Makefile.in: configure.in -> configure.ac
* configure.ac, mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in:
compute-energy-integral -> compute-field-integral (generalized)
(thanks to Marin for suggestion)
2002-01-17 Steven G. Johnson <stevenj@ab-initio>
* doc/user-ref.html: fixed bug in formatting
* mpb-ctl/mpb.c, src/matrixio/fieldio.c: don't center
exp(ikx)...it screws up vectorfield_otherhalf
* mpb-ctl/mpb.c: fixed epsilon imag. part
* mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c, mpb-ctl/mpb.h,
mpb-ctl/mpb.scm.in: added get-*-point functions
* src/matrixio/fieldio.c: compute exp(ikx) phase such that the
center of the cell is the origin, for more consistency with other
parts of the code
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in: allow user to specify
resolution instead of grid size (requires new libctl)
2002-01-03 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: Got rid of NaN when computing (undefined) group
velocity for zero-frequency states at the Gamma point; arbitrarily
return zero here instead. Thanks to Dmitry N. Chigrin for
reporting floating-point exceptions on Alphas.
* doc/user-ref.html: improved run-parity docs
2001-12-15 Steven G. Johnson <stevenj@ab-initio>
* TODO: additions
2001-12-12 Steven G. Johnson <stevenj@ab-initio>
* acx_blas.m4: use FLIBS everywhere
* doc/installation.html: added note on using a consistent f77
compiler
2001-12-08 Steven G. Johnson <stevenj@ab-initio>
* NEWS, configure.ac, doc/installation.html, doc/user-ref.html:
use AC_HELP_STRING, and shorten --with-hermitian-eps
* doc/installation.html: noted new blas/lapack options
* acx_blas.m4, acx_lapack.m4: check for *.so.* as well as *.so
* acx_blas.m4, acx_lapack.m4, configure.ac: use new BLAS/LAPACK
check macros
2001-12-07 Steven G. Johnson <stevenj@ab-initio>
* src/maxwell/maxwell_constraints.c: fixed bug in y-parity
constraint for 3d. Thanks to Rumen Iliew for the bug report.
2001-12-04 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.scm.in: added run-yeven-zeven, etcetera
2001-11-20 Steven G. Johnson <stevenj@ab-initio>
* NEWS: noted replacement of run-polarization by run-parity,
etcetera, in MPB 1.2; thanks to Karl Koch for pointing out this
omission.
* doc/user-ref.html: fixed missing </i> tag
* ChangeLog: updated
* NEWS, configure.ac: bumped version
* Makefile.in, install-sh: autoconf file should not be in cvs
* NEWS, src/util/debug_malloc.c: cleanups, allow malloc(0)
* mpb-ctl/mpb.c: ugh, ugh, fixed memory overwrite due to
mis-parenthesization; thanks to Karl Koch for the bug report.
2001-11-16 Steven G. Johnson <stevenj@ab-initio>
* NEWS: correction
* NEWS: slight fix
* NEWS: added date
* ChangeLog: updated
2001-11-15 Steven G. Johnson <stevenj@ab-initio>
* ChangeLog, NEWS: updated
* mpb-ctl/examples/line-defect.ctl: slight correction
* mpb-ctl/examples/line-defect.ctl: switched to rods, not holes,
and cleaned up a bit
* doc/analysis-tutorial.html, doc/user-tutorial.html,
doc/acknowledgments.html, doc/developer.html,
doc/installation.html, doc/introduction.html, doc/license.html,
doc/user-ref.html: make it easier to filter Go To lines
* doc/index.html: indent contents for easy filtering
2001-11-14 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: fixed bash-ism
* doc/installation.html: Note the necessity of installing
guile-devel RPM (grr, FAQ).
2001-11-13 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/line-defect.ctl: added triangular-lattice
line-defect example
2001-10-22 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/honey-rods.ctl: slightly more optimal rod-size
parameter
2001-10-11 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/diamond.ctl: use new basis-size property
* Makefile.in: copy config.guess, config.sub to 'make dist'
directory
* config.guess, config.sub: removed non-owned files
* configure.ac: bumped version
* NEWS: updated
* doc/analysis-tutorial.html, doc/user-ref.html,
doc/user-tutorial.html: noted new basis-size property in libctl
2001-10-10 Steven G. Johnson <stevenj@ab-initio>
* NEWS, doc/analysis-tutorial.html, mpb-ctl/examples/check.ctl,
mpb-ctl/examples/diamond.ctl: rotated W and K points to be consist
with the picture in John's book; thanks to Robert Sheldon for the
suggestion
* NEWS: some updates
2001-10-09 Steven G. Johnson <stevenj@ab-initio>
* TODO: add more example files
2001-10-08 Steven G. Johnson <stevenj@ab-initio>
* doc/user-ref.html: output-copies is no longer supported
2001-10-05 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c, src/maxwell/maxwell.h, src/maxwell/maxwell_eps.c:
return better scalar epsilon value
2001-09-30 Steven G. Johnson <stevenj@ab-initio>
* doc/user-ref.html: slight improvement & fix
* doc/user-ref.html: spiffed up parity discussion
* doc/user-ref.html: another fix
* doc/user-ref.html: whoops, another fix
* doc/user-ref.html: slight fix
* TODO, doc/user-ref.html, mpb-ctl/examples/hole-slab.ctl,
mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, src/maxwell/Makefile.in,
src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_constraints.c, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_pre.c, tests/maxwell_test.c: added y-parity,
reorganized polarization constraints
2001-09-19 Steven G. Johnson <stevenj@ab-initio>
* doc/installation.html: updated ATLAS link
2001-08-08 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c: group-v computation blows away curfield; thanks
to Marin for noting this
2001-07-24 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/mpb.c, src/maxwell/maxwell_op.c: use units for D that
are consistent with H
2001-07-23 Steven G. Johnson <stevenj@ab-initio>
* src/matrixio/matrixio.h, utils/mpb-data.c, doc/user-ref.html,
mpb-ctl/mpb.c, src/matrixio/fieldio.c: added full epsilon tensor
output (some problems still for hermitian epsilon with inversion
symmetry)
2001-07-10 Steven G. Johnson <stevenj@ab-initio>
* configure.ac: make sure guile is in PATH
2001-07-05 Steven G. Johnson <stevenj@ab-initio>
* NEWS: updated
* configure.ac, src/maxwell/maxwell.h: fixed for new config.h
* configure.ac, config.guess, config.sub, configure.in,
src/config.h.in, src/matrices/blasglue.c, src/util/fortranize.h:
switched to autoconf 2.50
* doc/user-ref.html, doc/user-tutorial.html: lowered default
tolerance to 1e-7
* NEWS: updated
* mpb-ctl/mpb.scm.in: lowered default tolerance to 1e-7
2001-07-04 Steven G. Johnson <stevenj@ab-initio>
* doc/index.html, doc/user-ref.html: fixed documentation
cross-refs
* doc/user-ref.html, doc/user-tutorial.html,
mpb-ctl/examples/tutorial.ctl, mpb-ctl/mpb.scm.in: documented,
fixed retrieve-gap function
* ChangeLog, NEWS: updated
* configure.in: bumped version to 1.1.1
* mpb-ctl/examples/bragg.ctl: generalized
2001-07-04 Steven G. Johnson <stevenj@ab-initio>
* mpb-ctl/examples/bragg.ctl: generalized
2001-06-26 Steven G. Johnson <stevenj@ab-initio>
* ChangeLog: updated
* src/maxwell/maxwell_op.c: yikes, fixed bug in H output for cases
lacking inversion symmetry
2001-06-21 Steven G. Johnson <stevenj@superjdj>
* configure.in: detect MPI compiler for AIX...this test needs to
be split into a separate macro, really
2001-06-12 Steven G. Johnson <stevenj@superjdj>
* src/maxwell/maxwell_eps.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_op.c, src/matrices/eigensolver_davidson.c,
mpb-ctl/mpb.c: Laid some groundwork for negative epsilon support,
but need a new eigensolver algorithm before it can really work.
More importantly, fixed bug in mpbi for 1d transforms (arrays were
not written properly, and worse: array bounds were violated,
causing random results).
2001-06-03 Steven G. Johnson <stevenj@superjdj>
* mpb-ctl/mpb.scm.in: added retrieve-gap function
2001-05-09 Steven G. Johnson <stevenj@superjdj>
* src/matrices/eigensolver.c: output malloc count when verbose
* src/util/check.h, src/util/debug_malloc.c: add
debug_output_malloc_count
2001-05-06 Steven G. Johnson <stevenj@superjdj>
* NEWS, ChangeLog: updated
* doc/analysis-tutorial.html: K is C_{3v}, not C_{6v}.
* /home/stevenj/Repository/mpb/doc/analysis-tutorial.html: K is
C_{3v}, not C_{6v}.
2001-04-30 Steven G. Johnson <stevenj@gil-galad>
* /home/stevenj/Repository/mpb/NEWS,
/home/stevenj/Repository/mpb/configure.in,
/home/stevenj/Repository/mpb/ChangeLog: updated & bumped version
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.c: Fixed bug in field
output for kz != 0. Thanks to Jesper Riishede for the bug report.
2001-04-29 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: note limitations of fix-*field-phase
2001-04-26 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html: updated LAM URL
2001-04-20 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb-split.in: Use
#! /bin/bash
instead of
#!/bin/bash
for portability on some systems.
* doc/user-ref.html, mpb-ctl/mpb.c: compute_energy_integral should
also pass position to integrand
2001-04-14 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb-split.in: Whoops, add first job (0th k-point chunk)
to list of subprocesses, so that it gets killed properly if we
kill the script.
2001-04-11 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, doc/user-ref.html: Added
compute-energy-integral function, suggested by Marin Soljacic.
2001-04-03 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/acknowledgments.html, doc/introduction.html: acknowledged
Bob Meade
2001-03-07 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: minor cleanup
2001-03-06 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: magnetic material -> gyrotropic
(magneto-optic) material
2001-03-04 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: display-eigensolver-stats outputs mean time
per iteration
* doc/installation.html: photonic-bands -> MPB
* doc/installation.html: link to MPICH and LAM from MPI section
* utils/mpb-data.c: check to make sure -n argument is > 0 (thanks
to Niclas Carlsson for a bug report).
2001-03-02 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: linked to units section
* doc/user-tutorial.html: ./mpb -> mpb (why did I have it this
way?)
2001-02-24 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: fix hyphenation
2001-02-23 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in, src/config.h.in, src/matrixio/matrixio.c:
H5Pset_mpi is now called H5Pset_fapl_mpio in HDF5 1.4.0
* configure.in: more warnings or errors if important things are
not found
2001-02-22 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/blastest.c, tests/blastest.complex.out,
tests/blastest.real.out: pick deterministic phase for eigenvectors
* configure.in: removed single quotes that confuse emacs coloring
* configure.in: use nicer section separator
2001-02-20 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/Makefile.in: whoops...variable assignments in Makefiles
don't carry over to the next line (I guess each line is executed
in its own subshell).
2001-02-19 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/analysis-tutorial.html: punctuation alteration
* doc/analysis-tutorial.html: slight rewording
* doc/analysis-tutorial.html: noted that the real part is
sometimes zero
* doc/analysis-tutorial.html: noted units for resolution in
mpb-data
* doc/analysis-tutorial.html: use -S 3 instead of -X 3 -Y 3
* doc/tri-rods-eps-2.gif, doc/tri-rods-ez1.gif,
doc/tri-rods-ez2.gif, doc/tri-rods-ez3.gif, doc/tri-rods-ez4.gif,
doc/tri-rods-ez5.gif, doc/tri-rods-ez6.gif, doc/tri-rods-ez7.gif,
doc/tri-rods-ez8.gif: updated mode pictures (since mpb-data now
centers its output at the origin)
* config.guess, config.sub: updated to latest version
* ChangeLog: updated
* doc/analysis-tutorial.html, mpb-ctl/examples/diamond.ctl,
mpb-ctl/mpb.scm.in, src/maxwell/maxwell_eps.c: a couple
compilation fixes, and noted use of define-param in the manual
* mpb-ctl/examples/check.ctl: whoops, got rid of premature exit
* mpb-ctl/examples/check.ctl: improved accuracy in 1d tests...but
there still seem to be occasional discrepancies. What is going
on?
* doc/user-ref.html: clarification
* TODO: updated
2001-02-18 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html: fixed autoconf URL
* src/maxwell/maxwell.c: whoops, non-constant array initializers
are not allowed
2001-02-17 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html: mention parallel HDF5
* doc/installation.html: fixed typo
* doc/user-ref.html, doc/installation.html: noted mpbi-mpi in
manual
* mpb-ctl/mpb.c: fixed counting statistics for mpbi-mpi
* src/maxwell/maxwell_op.c: fixed field output for 2d mpbi-mpi
* mpb-ctl/Makefile.in: fixed copyright year
* src/matrixio/matrixio.c: don't call H5Dwrite at all for empty
dataspaces (e.g. in leftover processes under MPI)
* src/maxwell/maxwell_op.c: bug fixed for mpbi-mpi field output
* mpb-ctl/examples/hole-slab.ctl: There sees to be some funny
rounding problem on the Origin (at least) that causes it to get
confused about whether x=0 and/or y=0 is inside the eps block.
* doc/user-ref.html: fixed broken <code> tag
* mpb-ctl/mpb.c: undid erroneous cleanups (although they wouldn't
have technically caused problems)
* ChangeLog: updated
2001-02-16 Steven G. Johnson <stevenj@alum.mit.edu>
* NEWS: minor rewordings
* NEWS: updated
* utils/mpb-data.c: Fixed a problem with MODF_POSITIVE that caused
mpb-data to crash on an Alpha; thanks to Dominique Caron for the
bug report.
2001-02-14 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: note that MPB exits with an error if
run-te/tm are used nonsensically, or if epsilon is not
positive-definite.
* NEWS: fixed hyphenation
* configure.in: bumped version
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, src/matrices/scalar.h,
src/matrixio/fieldio.c, src/matrixio/matrixio.c,
src/matrixio/matrixio.h, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/maxwell/maxwell_op.c, NEWS: Rewrote
field output for inversion-symmetry case. We now write the field
to the file in a few chunks, rather than trying to expand the
half-complex rfftw output to the full array. This paves the way
for a parallel mpbi. As a side effect, we also circumvent a bug
in the old makefull routines that caused artifacts to appear in
the output for 3d cells (reported by Michelle Povinelli).
2001-02-11 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: Bug fix in combine-band-functions, etcetera,
for when a thunk is encountered. Thanks to Michelle Povinelli for
the bug report.
2001-02-09 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c, src/matrixio/fieldio.c, src/matrixio/matrixio.c,
src/matrixio/matrixio.h: generalized fieldio function in
preparation for rewritten mpbi output...
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, NEWS, src/matrixio/fieldio.c,
src/matrixio/matrixio.h: eliminated output-copies in favor of
mpb-data
2001-02-08 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c: added geometry tree debugging code
* doc/installation.html, doc/user-ref.html, NEWS: give (more)
thanks to Clarendon
* src/matrices/blasglue.c, src/matrixio/matrixio.c,
src/maxwell/maxwell_op.c: fixed problems when an MPI process has
no portion of the eigenmodes (which can happen for inconvenient #
processes)...matrixio is still not quite right, though
* src/matrices/blasglue.c: don't die if passed NULL arrays for
zero sizes
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in: added get/set kpoint-index
functions
* NEWS: updated
* doc/index.html, doc/installation.html, doc/user-ref.html:
documented mpb-mpi
* mpb-ctl/examples/check.ctl: check-tolerance should be a param
* src/maxwell/maxwell_pre.c: Fixed bug in zero-k constraint for
parallel systems.
2001-02-07 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/acknowledgments.html: thanks to Clarendon
* utils/mpb-data.1, utils/mpb-data.c: added mpb-data -T option
* configure.in, utils/Makefile.in: don't build/install mpb-data
when linking to MPI
* mpb-ctl/examples/check.ctl, mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in:
expose more MPI info to Guile, and don't do 1d tests in check.ctl
under MPI (where they are not supported)
* mpb-ctl/mpb.c, src/matrices/eigensolver.c,
src/matrices/eigensolver_davidson.c,
src/matrices/eigensolver_utils.c, src/matrices/evectmatrix.c,
src/matrices/matrices.h, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_pre.c, src/util/mpiglue.h,
src/util/mpi_utils.c, src/util/mpi_utils.h, tests/eigs_test.c:
yikes, Allreduce requires sendbuf != recvbuf (although this is not
clear from the documentation)
* src/maxwell/maxwell_eps.c: cleanups, fixed calculation of
eps_inv_mean for MPI
* src/maxwell/maxwell.c: fixed indenting
* TODO: updates
* mpb-ctl/Makefile.in: put check target at the end so that 'make'
does 'make all'
* src/matrixio/matrixio.c: fprintf -> mpi_one_fprintf
* src/maxwell/maxwell_op.c: whoops, fixed stride/dist check to
coincide with what fftwnd_mpi really supports
* src/config.h.in: define HAVE_FFTW to something
* configure.in, mpb-ctl/mpb.c, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/util/mpi_utils.c: fixed compilation
whoopses under MPI
* doc/user-ref.html: fix
* ChangeLog, NEWS: updated
2001-02-06 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: workaround for older versions of Guile where
we can't get the number of arguments to a function (apparently)
* configure.in: fixed gen-ctl-io check, removed AC_PROG_CC_STDC
ifdef...there's something not working about ifdef that I don't
understand
* configure.in: call AC_PROG_CC_STDC if defined, in part so that
autoconf 2.5 doesn't complain
* configure.in: added MPI checks
* src/util/mpi_utils.c: clarification
* src/matrixio/matrixio.c: fixed misnamed function call
* configure.in, src/config.h.in, src/matrixio/matrixio.c: support
HDF5 file i/o without H5Pset_mpi
2001-02-05 Steven G. Johnson <stevenj@alum.mit.edu>
* src/util/mpiglue.h, src/util/mpi_utils.c, src/util/mpi_utils.h:
added critical section utility, intended for mediating output file
access
2001-02-04 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in: turn off printing unless we
are the master process
* doc/user-tutorial.html, mpb-ctl/examples/check.ctl,
mpb-ctl/examples/tutorial.ctl, mpb-ctl/mpb.scm.in: display-many ->
print
* mpb-ctl/Makefile.in: make main() in new libctl call our hooks
* mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in,
src/matrices/eigensolver.c, src/matrices/eigensolver_davidson.c,
src/matrices/linmin.c, src/matrices/matrices.c,
src/matrixio/fieldio.c, src/matrixio/matrixio.h,
src/maxwell/maxwell.c, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/util/mpiglue.h, src/util/mpi_utils.c, src/util/mpi_utils.h:
many cleanups in preparation for MPI
* mpb-ctl/mpb.c: give error if k-point is incompatible with the
polarization
* configure.in, tests/blastest.complex.out, tests/blastest.out,
tests/blastest.real.out, tests/Makefile.in: fixed blastest 'make
check' for complex scalars
2001-02-03 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c, src/maxwell/maxwell_eps.c, src/maxwell/maxwell.h:
checks to see if dielectric tensor is okay; return error if TE/TM
is specified but impossible
* doc/index.html: fixed typo
2001-01-30 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: use vendor cc, too, so that Fortran and C are in
sync (there may be linking problems, otherwise).
* doc/developer.html, doc/license.html: noted MPB paper
2001-01-27 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c: fixed compute_energy_in_object_list for
non-orthogonal lattices
2001-01-26 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: filename-prefix is once again a define-param
variable
2001-01-24 Steven G. Johnson <stevenj@alum.mit.edu>
* NEWS: clarified the purpose of "nothing"
* doc/user-tutorial.html, mpb-ctl/examples/tutorial.ctl,
mpb-ctl/mpb.c: in compute-energy-in-objects, let 'nothing'
material punch a hole
2001-01-23 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html, doc/user-tutorial.html,
mpb-ctl/examples/tutorial.ctl, mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in,
NEWS: added 'nothing' material
* doc/installation.html: clarified simultaneous installation of
mpb and mpbi
2001-01-21 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/examples/check.ctl: collect error statistics
* mpb-ctl/examples/check.ctl: Fix a bug (Bragg-sine not resetting
default-material). Also raise tolerance slightly.
* Makefile.in, tests/Makefile.in: print friendly message when
(if?) make check passes
* mpb-ctl/examples/check.ctl: added sinusoidal Bragg to make check
* doc/user-ref.html: warn user about run-te and run-tm with
anisotropic dielectrics
* NEWS: give credit
* doc/user-ref.html, mpb-ctl/examples/bragg-sine.ctl,
mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, NEWS: added material-function
type
* configure.in: don't check for ctl_get_list (not there anymore)
* doc/installation.html, doc/user-ref.html, NEWS: let's not
capitalize 'Hermitian'
* tests/Makefile.in: whoops, fixed $ substitution
* Makefile.in: changed subdir order in make check
* Makefile.in, mpb-ctl/Makefile.in, tests/Makefile.in: added 'make
check'
* tests/maxwell_test.c: fix -E
* tests/maxwell_test.c: use epsilon with inversion symmetry, so it
works with mpbi
* tests/blastest.out: added sample output
* tests/maxwell_test.c: allow option to fail if error is too large
* src/maxwell/maxwell.c: Earlier, we flipped the sign of the G
vector in order to have a consistent sign of k for mpbi and
mpbi--it is especially important to be careful about this when you
have a complex-Hermitian dielectric tensor that breaks (k,-k)
time-reversal symmetry. However, this made our planewave basis
slightly different from before. It used to be that we had 1 more
positive-G planewave than negative-G (for even grid sizes), but
the above change reverses this situation. It doesn't matter in an
absolute sense, since the planewave cutoff is still the same, but
the difference was an annoyance--it caused check.ctl to fail
because of microscopic changes in the results, and also made us
inconsistent with the MPB paper. This change fixes that,
restoring the +G/-G planewave balance to what it was before
(although the basis elements are stored in a different order, with
the -G waves first).
* src/maxwell/maxwell.c, src/maxwell/maxwell_op.c: fixed G sign
convention to be consistent for mpbi and mpb
2001-01-20 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/developer.html, doc/user-ref.html, doc/user-tutorial.html:
spelling correction
* doc/developer.html, doc/introduction.html: link to
barnesandnoble.com instead of Amazon to be GNU-ly correct
* doc/user-tutorial.html: added link
* doc/installation.html, doc/user-ref.html, NEWS: documented
complex-Hermitian epsilon
* src/maxwell/maxwell_op.c: slight change
* configure.in, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c,
mpb-ctl/mpb.scm.in, src/config.h.in, src/matrices/scalar.h,
src/maxwell/maxwell_eps.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_op.c, tests/maxwell_test.c: added
--with-hermitian-epsilon
2001-01-11 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: Modified band-range data functions so that
they are tail recursive, lest stack overflow crashes occur when
large numbers of bands (e.g. 600) are computed. Thanks to Mihai
Ibanescu for the bug report.
2001-01-10 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/minpack2-linmin.c: use MIN, MAX, and ABS in case
some header file defines these macros too (like AIX...grrr).
Thanks to Angelo R. Rossi for the bug report.
2001-01-07 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/analysis-tutorial.html: clarification
* doc/analysis-tutorial.html: slight clarification
* doc/user-ref.html: slight formatting fix
* TODO: updated
* ChangeLog, configure.in, NEWS: bumped version number, prepare
for release
2001-01-06 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/license.html: clarification
* doc/analysis-tutorial.html: updated fcc units note
* doc/analysis-tutorial.html, doc/diamond-bands.gif,
mpb-ctl/examples/diamond.ctl: use standard units for fcc (diamond)
* mpb-ctl/mpb.scm.in: bug fix in filename-prefix use (fixes bug
introduced by previous change)
* doc/analysis-tutorial.html, doc/index.html, doc/user-ref.html:
expanded table of contents
* doc/installation.html: clarification of efence
* doc/installation.html: fixes
* doc/installation.html: fixed missing link
* doc/installation.html: slight change
* doc/installation.html: emphasize HDF5
* doc/installation.html: noted more clearly that MPI is not yet
used
* doc/installation.html: fixed ref
* doc/installation.html: recommend ATLAS
* doc/installation.html: moved Bourne shell note up front.
* doc/installation.html: grammar fix(?)
* doc/installation.html: notes on binary packages for Linux
* doc/license.html: clarification
* doc/license.html: expanded and updated referencing suggestions
* doc/license.html: comma goes outside of link
* doc/license.html: fixed capitalization
* src/matrices/matrices.c, src/matrices/matrices.h,
src/matrices/scalar.h, src/matrices/sqmatrix.c,
src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h,
src/maxwell/maxwell.c, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell.h, src/maxwell/maxwell_op.c,
src/maxwell/maxwell_pre.c, src/util/check.h,
src/util/debug_malloc.c, src/util/fortranize.h,
src/util/mpiglue.h, src/util/mpi_utils.c, src/util/mpi_utils.h,
tests/blastest.c, tests/eigs_test.c, tests/malloctest.c,
tests/maxwell_test.c, utils/mpb-data.1, utils/mpb-data.c,
COPYRIGHT, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.1, mpb-ctl/mpb.c,
mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in, src/matrices/blasglue.c,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/eigensolver_davidson.c, src/matrices/eigensolver.h,
src/matrices/eigensolver_utils.c, src/matrices/evectmatrix.c,
src/matrices/linmin.c, src/matrices/linmin.h: 2001 copyright year
update
* doc/license.html: fixed copyright year
* doc/license.html: Added Latin quote and fixed reference.
* doc/developer.html: fixed reference
* ChangeLog: fixed email
* ChangeLog: updated
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, NEWS: read filename-prefix on
each output call
2001-01-03 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/NEWS,
/home/stevenj/Repository/mpb/doc/user-ref.html: documented using
thunks for band functions
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: accept thunks
as band functions
* /home/stevenj/Repository/mpb/doc/user-ref.html,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/stevenj/Repository/mpb/NEWS: compute-field-energy now
returns the fraction of the energy in each field component. Also,
fixed a bug in the group velocity calculation when
eigensolver-block-size < num-bands. Thanks to Karl Koch for the
suggestion and bug report.
* /home/stevenj/Repository/mpb/src/matrices/blasglue.c: fixed
calling real syev for complex scalars
2000-11-12 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/src/matrices/blasglue.c,
/home/stevenj/Repository/mpb/src/matrices/blasglue.h: separate
function for eigenvalues of real matrices, if we need them
2000-11-10 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c: comment
2000-11-07 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/stevenj/Repository/mpb/src/matrices/matrices.h: changed flop
count to double to avoid overflow
*
/home/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c:
make trace output more closely match other eigensolver's
* /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: print
more digits in eigensolver trace output
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/stevenj/Repository/mpb/src/matrices/matrices.h: added flop
count, nwork & davidson user control
* /home/stevenj/Repository/mpb/doc/analysis-tutorial.html: noted
reference for diamond
2000-11-06 Steven G. Johnson <stevenj@alum.mit.edu>
*
/home/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c:
added dead code for alternate computation method of computing
AY...
* /home/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/stevenj/Repository/mpb/src/maxwell/maxwell_op.c: added
maxwell_target_operator1
* /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: put
constraint in a more logical place, after the preconditioner.
2000-11-04 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: reorder
iteration output so it's a little less misleading (iteration 1 is
now after the first eigenvector update, and the last iteration can
be printed)
2000-10-30 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/tests/normal_vectors.c: use uniform
directions on a sphere
2000-10-26 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl: use a
slightly lower tolerance for the targeted eigensolver
* /home/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl: updated
for new MPB...in particular, 3d numbers have changed because of
the new spherical quadrature, and 2d numbers may have changed
slightly because of the new handling of the Gamma points. Also
fixed some bugs where some of the tests that I had blithely
inserted conflicted with one another.
* /home/stevenj/Repository/mpb/doc/user-ref.html,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: changed default
block size, made more flexible
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.c: print a message to
remind the user when we're assuming inversion symmetry
* /home/stevenj/Repository/mpb/mpb-ctl/mpb.c: fixed bug in
integration (eps_mean, energy in object, etcetera) when using
inversion symmetry. Because of the funny format output by real
FFTs, the fields stored are slightly *over* half of the full
"logical" arrays. One has to be careful not to overcount the
boundary points.
2000-10-25 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/stevenj/Repository/mpb/NEWS: updated
* /home/stevenj/Repository/mpb/configure.in,
/home/stevenj/Repository/mpb/doc/installation.html,
/home/stevenj/Repository/mpb/doc/user-ref.html,
/home/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/stevenj/Repository/mpb/src/maxwell/maxwell.c,
/home/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c,
/home/stevenj/Repository/mpb/src/maxwell/maxwell_op.c,
/home/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c: support
inversion symmetry
2000-10-23 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html, mpb-ctl/examples/bragg.ctl, mpb-ctl/mpb.c,
mpb-ctl/mpb.scm.in, NEWS, src/matrices/eigensolver.c,
src/matrices/evectmatrix.c, src/matrices/matrices.c,
src/matrices/matrices.h, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/maxwell/maxwell_pre.c: added
eigensolver-block-size and zero-k handling
2000-10-22 Steven G. Johnson <stevenj@alum.mit.edu>
* NEWS: added first-brillouin-zone function
* doc/user-ref.html: documented first-brillouin-zone
* mpb-ctl/mpb.scm.in: added first-brillouin-zone
2000-10-21 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/normal_vectors.c: print more angle information
2000-09-21 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: clarification of compute-field-energy
normalization
2000-08-10 Steven G. Johnson <stevenj@alum.mit.edu>
* utils/mpb-data.c: Re-mapping (rectangularizing, etcetera) now
maps the center of the original primitive cell to the center of
the output. Also, the -x, -y, and -z lattice multipliers now
apply to the axes *after* the cell is rectangularized.
2000-08-06 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: Fix test for sunperf...-xlic_lib only supported in
Sun cc, not gcc.
2000-08-05 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html: updated PHiPACK URL.
2000-07-18 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/license.html: John likes to go by his initials.
* doc/license.html: noted Meade reference
2000-07-12 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/malloctest.c: added benchmark
* src/maxwell/maxwell_eps.c, tests/Makefile.in,
tests/normal_vectors.c, src/maxwell/maxwell.h: Added more
sophisticated spherical quadrature algorithm for computing normal
vectors (rather than just using the vertices of an icosahedron).
2000-07-10 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl:
Updated frequencies to account for changes due to new 12-point
mesh for normal vectors in 2d. (This really only affects TE
states.) We really need to do a more sophisticated quadrature in
3d, too; good algorithms are apparently available.
2000-07-09 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/tests/eigs_test.c: updated for
new sqmatrix_invert arguments
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver_utils.c,
/home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/blasglue.c,
/home/a/stevenj/Repository/mpb/src/matrices/blasglue.h: Added
experimental EIGS_ORTHOGONAL_PRECONDITIONER code (doesn't seem to
give any consistent benefit at this point).
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: fixed typo
* /home/a/stevenj/Repository/mpb/ChangeLog,
/home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/configure.in: Updated.
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented
group-velocity functions
2000-07-09 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: Added
beginnings of a test suite.
* /home/a/stevenj/Repository/mpb/utils/mpb-data.1,
/home/a/stevenj/Repository/mpb/utils/mpb-data.c: added -e option
to specify orientation
2000-07-04 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: fixed
typo
2000-07-03 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c: Use
finer mesh in 2d for normal vector computation (so as not to break
90-degree rotational symmetries). I also need to think about the
3d mesh, although it seems to be a hard problem there to come up
with general spherically "symmetric" distributions of 3d points.
Perhaps some sort of weighted quadrature?
2000-06-14 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c: Yikes!
Fixed crashing bug!
2000-06-01 Steven G. Johnson <stevenj@alum.mit.edu>
*
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c:
added initial try at Davidson eigensolver
2000-05-31 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/installation.html: added
sub-headings in installation section, to draw peoples attention to
the two issues they need to consider. Thanks to Maksim for
pointing out that this was easily missed.
2000-05-23 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: Added (index
n) substitute for epsilon property of dielectrics.
2000-05-16 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h,
/home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/Makefile.in,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: added
experimental (unused) Davidson eigensolver
* /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in: updated
copyright year
2000-05-11 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: make
sure linmin tolerance is no larger than eigensolver tolerance
* /home/a/stevenj/Repository/mpb/doc/license.html: noted
inclusion, with permission, of code from MINPACK-2
* /home/a/stevenj/Repository/mpb/configure.in,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: improved
handling of optional Guile sort routine
2000-05-10 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h,
/home/a/stevenj/Repository/mpb/src/matrices/linmin.c,
/home/a/stevenj/Repository/mpb/src/matrices/linmin.h,
/home/a/stevenj/Repository/mpb/src/matrices/minpack2-linmin.c,
/home/a/stevenj/Repository/mpb/configure.in,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/src/config.h.in,
/home/a/stevenj/Repository/mpb/src/matrices/Makefile.in: Many
changes. Switched to line minimization routine from MINPACK-2,
thanks to Jorge More. Added reorthogonalization option to
eigensolver, and renormalization of D, to combat numerical
problems. Added option (not on by default) to dynamically reset
CG based on convergence history, and also another unused option to
orthogonalize the first step. Checked to see if Guile provides a
sort routine (new in 1.3.4, I think), before using it in
mpb.scm.in. (Or should we do this dynamically?)
2000-05-03 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/analysis-tutorial.html: more
clarification
* /home/a/stevenj/Repository/mpb/doc/tri-rods-ez1.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez2.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez3.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez4.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez5.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez6.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez7.gif,
/home/a/stevenj/Repository/mpb/doc/tri-rods-ez8.gif,
/home/a/stevenj/Repository/mpb/doc/analysis-tutorial.html,
/home/a/stevenj/Repository/mpb/mpb-ctl/examples/tri-rods.ctl: Use
fix-efield-phase to get deterministic field pictures.
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: fixed typo
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented
fix-*field-phase band functions
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: added
fix-*field-phase band functions
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: invalidate
curfield when eigenstates are recomputed.
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: clarification
in fix-field-phase
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented
fix-field-phase
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: fix scaling of
energy total returned by compute-field-energy.
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/doc/user-ref.html:
compute-field-energy returns total unnormalized energy
2000-05-02 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented new
"cone" geometric object type.
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: Bug fix in epsilon
creation for 2d systems: is now xy plane at z=0, rather than at
z=-0.5.
2000-04-04 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: clarified
meaning of block size
2000-03-19 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c:
increased min. denom., and used max(denom,min) instead of (denom +
min).
2000-03-18 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/installation.html: minor
updates
* /home/a/stevenj/Repository/mpb/doc/license.html: slight
translation tweak to restore parallel structure
* /home/a/stevenj/Repository/mpb/tests/eigs_test.c: fixed bug
2000-03-17 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: added
display-group-velocities band function
* /home/a/stevenj/Repository/mpb/tests/eigs_test.c: handled case
where eigenvals array passed to preconditioner is NULL.
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: added group
velocity calc
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_op.c: added
maxwell_ucross_op for group velocity calculation
2000-03-16 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_op.c: Separated
H_from_e computation into its own subroutine, in preparation for
group velocity computation.
* /home/a/stevenj/Repository/mpb/doc/user-ref.html,
/home/a/stevenj/Repository/mpb/doc/user-tutorial.html: added
cross-refs
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented
coordinate conversion functions from libgeom in libctl-1.2
2000-03-15 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: slightly simpler
phase-fixing algorithm (don't discriminate between components).
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: removed debugging
printf
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: Added
fix-field-phase function (currently undocumented), based on a
suggestion by Doug Allan.
2000-03-14 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: be sure to do
sums, etcetera, over all processors
* /home/a/stevenj/Repository/mpb/utils/mpb-data.c: bug fix in
outputing imag. part range (thanks to Doug Allan).
2000-03-08 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/license.html: clarification
* /home/a/stevenj/Repository/mpb/doc/license.html: added suggested
reference
2000-02-28 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/analysis-tutorial.html:
addressed FAQ on fcc lattice units
2000-02-22 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: got
rid of debugging printf
2000-02-14 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: sum
times over processors, and a couple of other cleanups
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: fixed
comment
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h:
Corrected operation counts when projecting the preconditioning.
Changed some flag names and orderings, and added
EIGS_FORCE_APPROX_LINMIN.
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: added
documentation for linmin
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: pass
correct U to eigensolver_get_eigenvals_aux
2000-02-13 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h: added
adaptive algorithm choice
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: don't precondition
when randomizing fields (it doesn't really seem to help).
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h: Added
approximate (2-point) line minimization. Disabled for now, until
the runtime self-optimization code is added.
* /home/a/stevenj/Repository/mpb/tests/eigs_test.c,
/home/a/stevenj/Repository/mpb/tests/maxwell_test.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver_utils.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/scalar.h,
/home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_op.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/src/matrices/Makefile.in,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h:
rewritten eigensolver
2000-02-12 Steven G. Johnson <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/NEWS: noted change in mpb-data
* /home/a/stevenj/Repository/mpb/ChangeLog,
/home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/configure.in: bumped version
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c: Yikes!
Bug fix in zparity stuff for even nz!!
2000-02-12 stevenj <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c: Yikes!
Bug fix in zparity stuff for even nz!!
2000-02-09 stevenj <stevenj@alum.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented
band-range-data output var
* /home/a/stevenj/Repository/mpb/ChangeLog: updated
* /home/a/stevenj/Repository/mpb/NEWS: noted changes
* /home/a/stevenj/Repository/mpb/NEWS: noted --without-hdf5 fix
* /home/a/stevenj/Repository/mpb/configure.in: Warn user if -lhdf5
is found but hdf5.h is not (probably an error).
* /home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c,
/home/a/stevenj/Repository/mpb/utils/mpb-data.c: fixed compilation
--without-hdf5
Wed Feb 9 23:14:45 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* NEWS: noted changes
* NEWS: noted --without-hdf5 fix
* configure.in: Warn user if -lhdf5 is found but hdf5.h is not
(probably an error).
* src/matrixio/matrixio.c, utils/mpb-data.c: fixed compilation
--without-hdf5
Tue Feb 8 06:40:20 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: slight clarifications
Mon Feb 7 02:30:24 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/analysis-tutorial.html: updated run time for diamond lattice
* doc/user-ref.html: slight clarification
Sun Feb 6 02:43:38 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrixio/matrixio.c, src/matrixio/matrixio.h,
utils/mpb-data.c: creating a dataset deletes pre-existing ones
Sat Feb 5 22:03:02 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: updated to check for ATLAS 3.0 libraries.
Fri Feb 4 01:37:35 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: document current-k variable
Tue Feb 1 03:30:58 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/analysis-tutorial.html: fixed typo
* doc/tri-rods-ez8.gif, doc/tri-rods-ez1.gif,
doc/tri-rods-ez2.gif, doc/tri-rods-ez3.gif, doc/tri-rods-ez4.gif,
doc/tri-rods-ez5.gif, doc/tri-rods-ez6.gif, doc/tri-rods-ez7.gif:
updated to use h5topng 1.3.4 images (much nicer contour lines).
* doc/analysis-tutorial.html: noted random phase
Sat Jan 29 19:34:56 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: output band range data
* utils/mpb-data.c: Fixed -d help in -h info.
* mpb-ctl/mpb.1: small change
Sat Jan 29 02:36:46 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: mentioned data analysis tutorial
* doc/analysis-tutorial.html: grammar fix
* doc/analysis-tutorial.html: slight change
* src/matrixio/matrixio.c, src/matrixio/matrixio.h,
utils/mpb-data.c: Handle case of trying to create dataset where
one already exists.
* mpb-ctl/examples/diamond.ctl, mpb-ctl/examples/tri-rods.ctl:
updated for data analysis tutorial
* doc/user-tutorial.html, doc/tri-rods-eps-2.gif,
doc/tri-rods-ez1.gif, doc/tri-rods-ez2.gif, doc/tri-rods-ez3.gif,
doc/tri-rods-ez4.gif, doc/tri-rods-ez5.gif, doc/tri-rods-ez6.gif,
doc/tri-rods-ez7.gif, doc/tri-rods-ez8.gif, doc/user-ref.html,
doc/diamond-b3-eps.gif, doc/diamond-b3.gif, doc/diamond-bands.gif,
doc/diamond-eps.gif, doc/index.html, doc/tri-rods-bands.gif,
doc/tri-rods-eps-1.gif, doc/analysis-tutorial.html,
doc/diamond-b1-eps.gif, doc/diamond-b1.gif: added data analysis
tutorial
Fri Jan 28 20:11:25 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: minor change
* doc/installation.html: noted that PATH may need to be updated,
and some other small changes
* doc/installation.html: noted make distclean
* doc/installation.html: slight formatting fix
* doc/installation.html: Added section reviewing how to set up
installation paths, etcetera.
* mpb-ctl/examples/diamond.ctl: added diamond (fcc) lattice
example
* mpb-ctl/mpb.scm.in: report elapsed time for initialization
* mpb-ctl/mpb.scm.in: fixed display-eigensolver-stats for
num-runs=0
* mpb-ctl/examples/tutorial.ctl, doc/user-tutorial.html: use
output-at-kpoint in tutorial
* doc/user-ref.html: Documented output-at-kpoint.
Thu Jan 27 23:57:50 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/examples/hole-slab.ctl, mpb-ctl/mpb.scm.in: Added
output-at-kpoint function.
* mpb-ctl/mpb.1, utils/mpb-data.1, mpb-ctl/Makefile.in: added mpb
man page
* mpb-ctl/mpb.c, src/matrixio/evectmatrixio.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h,
utils/Makefile.in, utils/mpb-data.1, utils/mpb-data.c,
Makefile.in, TODO, configure.in, mpb-ctl/epsilon_file.c: Added
mpb-data utility, so we can finally unskew datasets (and more).
* src/matrixio/matrixio.c: Suppress HDF5 error messages if we try
to read a nonexistent dataset; just return NULL.
* mpb-ctl/mpb.c: write out Bloch wavevector in reciprocal, not
cartesian, basis.
* mpb-ctl/Makefile.in, tests/Makefile.in,
src/matrices/Makefile.in, src/matrixio/Makefile.in,
src/maxwell/Makefile.in, src/util/Makefile.in: set SHELL
* mpb-ctl/epsilon_file.c, src/matrixio/evectmatrixio.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h: Added
attribute-reading code, and made it possible to check at runtime
if a dataset exists in a file (by returning an NULL instead of
dying if the dataset doesn't exist when we try to read it).
Wed Jan 26 17:40:56 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* src/maxwell/maxwell_pre.c: zparity and run-even/odd now work
correctly for 2d grids. zparity calculation is also now ready for
use with MPI.
* doc/user-ref.html: fixed typo
* mpb-ctl/examples/tutorial.ctl, mpb-ctl/mpb.c,
mpb-ctl/mpb.scm.in, src/maxwell/maxwell.h,
src/maxwell/maxwell_eps.c, tests/maxwell_test.c,
doc/user-ref.html, doc/user-tutorial.html, mpb-ctl/epsilon_file.c:
added anisotropic dielectrics
Sat Jan 22 05:57:27 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in: Fixed bug in output-dpwr-in-objects. Thanks
to Mihai Ibanescu for the bug report.
Fri Jan 21 02:18:28 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrixio/matrixio.h, doc/user-tutorial.html, mpb-ctl/mpb.c,
src/matrixio/fieldio.c, src/matrixio/matrixio.c: output all
components in one h5 file
* doc/developer.html: fixed typo
* src/matrixio/fieldio.c, src/matrixio/matrixio.c,
src/matrixio/matrixio.h, mpb-ctl/mpb.c: tag output datasets with k
& R attributes
Mon Jan 17 03:00:19 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/license.html: yet more felicitous translation
* doc/license.html: more felicitous translation
* doc/user-tutorial.html: fixed typo
Fri Jan 14 21:33:21 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/Makefile.in, src/matrices/Makefile.in,
src/matrixio/Makefile.in, src/maxwell/Makefile.in,
src/util/Makefile.in, tests/Makefile.in, Makefile.in,
configure.in, doc/installation.html: INCLUDES -> CPPFLAGS
Wed Jan 12 02:02:09 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/Makefile.in: Added dependency rule to ensure ctl-io.h is
created before main.o is built. Thanks to Christoph Becher for
the bug report.
* Makefile.in: Need to set the SHELL in the Makefile for non-GNU
makes. Thanks to Christoph Becher for the bug report.
Tue Jan 11 21:04:51 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: user-ref.html
Fri Jan 7 18:35:12 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in, mpb-ctl/mpb.c, NEWS: 0.9.1 eigensolver bugfix
(yikes!)
Tue Jan 4 05:52:41 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.c: noted units of reciprocal lattice vectors in
output
* NEWS: noted filename-prefix fix
* mpb-ctl/mpb.c: bug fix...prefix goes *before* filename; thanks
to Karl Koch.
Sun Jan 2 17:29:20 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* ChangeLog: updated
* doc/user-tutorial.html: slight fix
* NEWS: noted more changes
* doc/user-tutorial.html: noted polarization (e.g. ".te") in the
output filenames.
* doc/user-tutorial.html: slight rewording
* NEWS, configure.in: version-numbering scheme is now 0.8, 0.9,
0.10, ...
* doc/introduction.html: small formatting fix
* TODO: updated
* NEWS: slight rewording
* NEWS: added version number to NEWS
* NEWS: removed inconsistent parens
* mpb-ctl/mpb.scm.in, NEWS, doc/user-ref.html, mpb-ctl/mpb.c:
added z-parity output var
* src/maxwell/maxwell_pre.c: fixed counting bug in zparity
computation
* NEWS, configure.in: configure works without f77 compiler,
hopefully
Sat Jan 1 23:50:31 2000 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c, src/util/check.h, src/util/debug_malloc.c,
src/util/fortranize.h, src/util/mpi_utils.c, src/util/mpi_utils.h,
src/util/mpiglue.h, tests/blastest.c, tests/eigs_test.c,
tests/malloctest.c, src/matrixio/matrixio.c,
src/matrixio/matrixio.h, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/eigensolver.h, src/matrices/evectmatrix.c,
src/matrices/matrices.c, src/matrices/matrices.h,
src/matrices/scalar.h, src/matrices/sqmatrix.c,
src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c,
doc/license.html, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c,
mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in, src/matrices/blasglue.c,
COPYRIGHT: bumped copyright year
* NEWS, configure.in: bumped version and went to 2-digit minor
version numbers
* mpb-ctl/examples/hole-slab.ctl, mpb-ctl/mpb.c,
mpb-ctl/mpb.scm.in, src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_pre.c, NEWS, doc/user-ref.html: added run-even
and run-odd
Tue Dec 14 02:43:57 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: defined reciprocal lattice
* doc/license.html: slight wording change in quotation
* doc/license.html: better translation
Mon Dec 13 23:55:56 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/license.html: added St. Augustine quote
Thu Dec 9 00:11:11 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/acknowledgments.html: slight fix
Sun Dec 5 21:07:58 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html: various improvements
Fri Dec 3 20:03:56 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/examples/hole-slab.ctl: fixed substrate
* mpb-ctl/examples/hole-slab.ctl: allow substrate
* mpb-ctl/examples/tri-holes.ctl:
Added 2d triangular lattice of holes example.
Thu Dec 2 06:40:01 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: warned of false-positives in band gaps
* tests/maxwell_test.c, src/util/check.h, tests/eigs_test.c, tests/malloctest.c, src/matrixio/matrixio.c, src/maxwell/maxwell.c, src/matrices/matrices.c, src/matrices/sqmatrix.c, src/matrixio/fieldio.c, mpb-ctl/mpb.c, src/matrices/eigensolver.c, mpb-ctl/epsilon_file.c:
Use CHK_MALLOC everywhere. For one thing, this prevents problems
when we allocate 0 bytes on systems where malloc(0) returns NULL.
* mpb-ctl/mpb.scm.in, mpb-ctl/mpb.c: handle num-bands = 0
Wed Dec 1 04:04:48 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/eigensolver.h: enable delay-cg by default
* src/matrices/eigensolver.c:
print warning in verbose mode for large lambda
* mpb-ctl/mpb.scm.in: fixed median bug for odd sizes
* mpb-ctl/examples/hole-slab.ctl, mpb-ctl/examples/sq-rods.ctl, mpb-ctl/mpb.scm.in, doc/user-ref.html:
added display-eigensolver-stats
* src/matrices/eigensolver.c, src/matrices/eigensolver.h:
added EIGS_DELAY_CG flag...don't enable by default until we do more tuning
Tue Nov 30 23:47:35 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/eigensolver.c:
don't use cg with analytic multimin (multimin screws up cg) (because of
this, multimin is probably not worth it)
* tests/maxwell_test.c: got rid of gcc warning
* mpb-ctl/mpb.c:
randomize-fields now randomizes both the real and imaginary parts.
Previously, it just set the imaginary parts to zero (which is fine for
structures with inversion symmetry, but in general cases I don't see
any justification for it).
* src/matrices/eigensolver.c:
verbose mode now prints out trace on every iteration.
Mon Nov 29 22:00:23 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* NEWS, ChangeLog: updated
* mpb-ctl/Makefile.in:
fixed trailing spaces in sed command; thanks to Ron Chase for the bug report.
* mpb-ctl/Makefile.in, tests/Makefile.in, configure.in:
incorporate FLIBS into LIBS
* doc/installation.html:
more explicit instructions for LAPACK and BLAS.
Thu Nov 25 06:25:09 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/epsilon_file.c: minor improvements, mostly to comments
* src/matrices/eigensolver.c: get rid of warning
* src/matrices/eigensolver.c:
don't redeclare lambda (also gets rid of possiblity of prev_lambda being
assigned to undefined variable)
* Makefile.in: added 'make snapshot'
* doc/user-ref.html: slight rewording
* src/maxwell/maxwell_eps.c, src/matrixio/matrixio.c, src/matrixio/matrixio.h, src/maxwell/maxwell.h, mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in, src/matrixio/evectmatrixio.c, mpb-ctl/Makefile.in, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c, doc/user-ref.html:
added epsilon-input-file input var
Wed Nov 24 05:05:48 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/mpb.scm.in, configure.in, mpb-ctl/mpb.c:
added eigensolver-flags input variable
* src/matrices/evectmatrix.c, src/matrices/matrices.c, src/matrices/matrices.h, src/matrices/eigensolver.c, src/matrices/eigensolver.h:
Added EIGS_ANALYTIC_MULTIMIN, but don't enable by default until I
can fix the convergence. (Maybe by implementing a generalized
conjugacy condition for conjugate gradient?)
* src/matrices/eigensolver.c:
commented on non-storage of U and YtAYU; also changed iteration counter
to be 1-based in verbose mode
* src/matrices/matrices.h, src/matrices/scalar.h, src/matrices/evectmatrix.c, src/matrices/matrices.c, src/matrices/eigensolver.c:
optimized when matrices are diagonal
Mon Nov 22 05:12:35 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: bumped version
* NEWS: noted (scheduled) 0.8.1 release.
* doc/introduction.html: added comparison with time-domain
Sun Nov 21 17:59:22 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* mpb-ctl/examples/hole-slab.ctl, mpb-ctl/examples/tutorial.ctl, doc/user-tutorial.html, mpb-ctl/mpb.scm.in, doc/user-ref.html, NEWS:
output-hfieldz, etc -> output-hfield-z; also use these functions in tutorial
* NEWS: noted changes
* src/matrixio/matrixio.c: speed up saving non-contiguous data
* mpb-ctl/mpb.scm.in, doc/user-ref.html:
added output-field[xyz] and friends
* src/matrixio/matrixio.h, mpb-ctl/mpb.scm.in, src/matrixio/fieldio.c, mpb-ctl/mpb.c:
Sped up phase calculations in field output (but to no avail, it seems),
and set things up for outputting only a single component of a vector field.
* NEWS: fixed typo
* doc/user-ref.html, mpb-ctl/mpb.scm.in, NEWS:
added output-copies variable
2000-01-02 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: slight
fix
* /home/a/stevenj/Repository/mpb/NEWS: noted more changes
* /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: noted
polarization (e.g. ".te") in the output filenames.
* /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: slight
rewording
* /home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/configure.in: version-numbering
scheme is now 0.8, 0.9, 0.10, ...
* /home/a/stevenj/Repository/mpb/doc/introduction.html: small
formatting fix
* /home/a/stevenj/Repository/mpb/TODO: updated
* /home/a/stevenj/Repository/mpb/NEWS: slight rewording
* /home/a/stevenj/Repository/mpb/NEWS: added version number to
NEWS
* /home/a/stevenj/Repository/mpb/NEWS: removed inconsistent parens
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/doc/user-ref.html,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: added z-parity
output var
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c: fixed
counting bug in zparity computation
* /home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/configure.in: configure works
without f77 compiler, hopefully
2000-01-01 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/tests/maxwell_test.c,
/home/a/stevenj/Repository/mpb/src/util/check.h,
/home/a/stevenj/Repository/mpb/src/util/debug_malloc.c,
/home/a/stevenj/Repository/mpb/src/util/fortranize.h,
/home/a/stevenj/Repository/mpb/src/util/mpi_utils.c,
/home/a/stevenj/Repository/mpb/src/util/mpi_utils.h,
/home/a/stevenj/Repository/mpb/src/util/mpiglue.h,
/home/a/stevenj/Repository/mpb/tests/blastest.c,
/home/a/stevenj/Repository/mpb/tests/eigs_test.c,
/home/a/stevenj/Repository/mpb/tests/malloctest.c,
/home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c,
/home/a/stevenj/Repository/mpb/src/matrixio/matrixio.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_op.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c,
/home/a/stevenj/Repository/mpb/src/matrices/blasglue.h,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h,
/home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/scalar.h,
/home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrixio/evectmatrixio.c,
/home/a/stevenj/Repository/mpb/src/matrixio/fieldio.c,
/home/a/stevenj/Repository/mpb/doc/license.html,
/home/a/stevenj/Repository/mpb/mpb-ctl/epsilon_file.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.h,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/src/matrices/blasglue.c,
/home/a/stevenj/Repository/mpb/COPYRIGHT: bumped copyright year
* /home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/configure.in: bumped version and
went to 2-digit minor version numbers
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/hole-slab.ctl,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c,
/home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/doc/user-ref.html: added run-even
and run-odd
1999-12-14 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: defined
reciprocal lattice
* /home/a/stevenj/Repository/mpb/doc/license.html: slight wording
change in quotation
* /home/a/stevenj/Repository/mpb/doc/license.html: better
translation
1999-12-13 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/license.html: added
St. Augustine quote
1999-12-09 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/acknowledgments.html: slight
fix
1999-12-05 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/installation.html: various
improvements
1999-12-03 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/hole-slab.ctl:
fixed substrate
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/hole-slab.ctl:
allow substrate
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/tri-holes.ctl:
Added 2d triangular lattice of holes example.
1999-12-02 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: warned of
false-positives in band gaps
* /home/a/stevenj/Repository/mpb/tests/maxwell_test.c,
/home/a/stevenj/Repository/mpb/src/util/check.h,
/home/a/stevenj/Repository/mpb/tests/eigs_test.c,
/home/a/stevenj/Repository/mpb/tests/malloctest.c,
/home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.c,
/home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrixio/fieldio.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/epsilon_file.c: Use
CHK_MALLOC everywhere. For one thing, this prevents problems when
we allocate 0 bytes on systems where malloc(0) returns NULL.
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: handle num-bands = 0
1999-12-01 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h:
enable delay-cg by default
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: print
warning in verbose mode for large lambda
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: fixed median
bug for odd sizes
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/hole-slab.ctl,
/home/a/stevenj/Repository/mpb/mpb-ctl/examples/sq-rods.ctl,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/doc/user-ref.html: added
display-eigensolver-stats
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h: added
EIGS_DELAY_CG flag...don't enable by default until we do more
tuning
1999-11-30 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: don't
use cg with analytic multimin (multimin screws up cg) (because of
this, multimin is probably not worth it)
* /home/a/stevenj/Repository/mpb/tests/maxwell_test.c: got rid of
gcc warning
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: randomize-fields
now randomizes both the real and imaginary parts. Previously, it
just set the imaginary parts to zero (which is fine for structures
with inversion symmetry, but in general cases I don't see any
justification for it).
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c:
verbose mode now prints out trace on every iteration.
1999-11-29 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/NEWS,
/home/a/stevenj/Repository/mpb/ChangeLog: updated
* /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in: fixed
trailing spaces in sed command; thanks to Ron Chase for the bug
report.
* /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in,
/home/a/stevenj/Repository/mpb/tests/Makefile.in,
/home/a/stevenj/Repository/mpb/configure.in: incorporate FLIBS
into LIBS
* /home/a/stevenj/Repository/mpb/doc/installation.html: more
explicit instructions for LAPACK and BLAS.
1999-11-29 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in: fixed
trailing spaces in sed command; thanks to Ron Chase for the bug
report.
* /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in,
/home/a/stevenj/Repository/mpb/tests/Makefile.in,
/home/a/stevenj/Repository/mpb/configure.in: incorporate FLIBS
into LIBS
* /home/a/stevenj/Repository/mpb/doc/installation.html: more
explicit instructions for LAPACK and BLAS.
1999-11-25 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/epsilon_file.c: minor
improvements, mostly to comments
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: get
rid of warning
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: don't
redeclare lambda (also gets rid of possiblity of prev_lambda being
assigned to undefined variable)
* /home/a/stevenj/Repository/mpb/Makefile.in: added 'make
snapshot'
* /home/a/stevenj/Repository/mpb/doc/user-ref.html: slight
rewording
* /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c,
/home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c,
/home/a/stevenj/Repository/mpb/src/matrixio/matrixio.h,
/home/a/stevenj/Repository/mpb/src/maxwell/maxwell.h,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.h,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/src/matrixio/evectmatrixio.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in,
/home/a/stevenj/Repository/mpb/mpb-ctl/epsilon_file.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c,
/home/a/stevenj/Repository/mpb/doc/user-ref.html: added
epsilon-input-file input var
1999-11-24 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/configure.in,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: added
eigensolver-flags input variable
* /home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h: Added
EIGS_ANALYTIC_MULTIMIN, but don't enable by default until I can
fix the convergence. (Maybe by implementing a generalized
conjugacy condition for conjugate gradient?)
* /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c:
commented on non-storage of U and YtAYU; also changed iteration
counter to be 1-based in verbose mode
* /home/a/stevenj/Repository/mpb/src/matrices/matrices.h,
/home/a/stevenj/Repository/mpb/src/matrices/scalar.h,
/home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c,
/home/a/stevenj/Repository/mpb/src/matrices/matrices.c,
/home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c:
optimized when matrices are diagonal
1999-11-22 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/configure.in: bumped version
* /home/a/stevenj/Repository/mpb/NEWS: noted (scheduled) 0.8.1
release.
* /home/a/stevenj/Repository/mpb/doc/introduction.html: added
comparison with time-domain
1999-11-21 stevenj <stevenj@gil-galad.mit.edu>
* /home/a/stevenj/Repository/mpb/mpb-ctl/examples/hole-slab.ctl,
/home/a/stevenj/Repository/mpb/mpb-ctl/examples/tutorial.ctl,
/home/a/stevenj/Repository/mpb/doc/user-tutorial.html,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/doc/user-ref.html,
/home/a/stevenj/Repository/mpb/NEWS: output-hfieldz, etc ->
output-hfield-z; also use these functions in tutorial
* /home/a/stevenj/Repository/mpb/NEWS: noted changes
* /home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c: speed up
saving non-contiguous data
* /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/doc/user-ref.html: added
output-field[xyz] and friends
* /home/a/stevenj/Repository/mpb/src/matrixio/matrixio.h,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/src/matrixio/fieldio.c,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.c: Sped up phase
calculations in field output (but to no avail, it seems), and set
things up for outputting only a single component of a vector
field.
* /home/a/stevenj/Repository/mpb/NEWS: fixed typo
* /home/a/stevenj/Repository/mpb/doc/user-ref.html,
/home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in,
/home/a/stevenj/Repository/mpb/NEWS: added output-copies variable
Fri Nov 19 00:45:13 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* TODO: updated and cleaned up a bit
* doc/license.html, doc/user-tutorial.html: noted example ctl
files
* mpb-ctl/examples/hole-slab.ctl: output hfield instead of dpwr.
* mpb-ctl/examples/hole-slab.ctl: added hole-slab example
Thu Nov 18 20:43:17 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: don't look in ../libctl and print error if libctl
not found
* src/matrices/eigensolver.c: flush iteration output
* mpb-ctl/mpb.scm.in, doc/user-ref.html: added current-k global
* mpb-ctl/mpb.c: print out geometry box tree in --verbose mode
* mpb-ctl/examples/sq-rods.ctl: slight cleanup
* mpb-ctl/examples/bragg.ctl, mpb-ctl/examples/sq-rods.ctl:
updated examples
* doc/user-tutorial.html: recommend using mpb foo.ctl >& foo.out
so that foo.out catches errors.
* Makefile.in: added 'make dist' target
* mpb-ctl/mpb.c: explained that hack from 1.32 was to get good
convergence.
* mpb-ctl/mpb.c: hack: for some reason I don't comprehend, it is
necessary to re-randomize the fields before doing a zero-k point,
at least with the new "analytic" linmin in eigensolver.c. Hey, it
works, and it can't do any harm.
* configure.in: bumped beta version number
* src/matrices/sqmatrix.c: Added explanatory comment to
sqmatrix_AeBC, noting the probable relative efficiency of various
operations.
* src/matrices/eigensolver.c: tiny fix in comment
* src/matrices/eigensolver.h, src/matrices/eigensolver.c: Added
"analytic" line minimization based on exact minimization of
rigorous expansion of the functional for small displacements
(truly exact for p=1). Also cleaned up eigensolver code a bit,
giving generic names to matrices UYtAYU and Usqrt that were being
used for lots of random things.
Wed Nov 17 23:56:34 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: grammar fix
* doc/introduction.html: link to feature list at MPB home page.
* doc/index.html: slight wording change
* doc/index.html, README: noted author
* doc/license.html: gnu web page -> gnu web site
* doc/user-tutorial.html, mpb-ctl/mpb.c: sumfrq -> freqs, etcetera
* mpb-ctl/mpb.scm.in: interactive -> interactive?
* src/maxwell/maxwell_pre.c, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, mpb-ctl/mpb.c: Put in special-case code for
k ~ 0 lowest bands (constant fields), to fix problems with slow
convergence.
* src/matrices/eigensolver.c, src/matrices/eigensolver.h,
mpb-ctl/mpb.c: Added constraint "chaining" utilities.
Tue Nov 16 07:10:08 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/eigensolver.c: renamed check variable (don't reuse
E2--bad style)
* doc/user-ref.html, doc/user-tutorial.html: noted that 2d grid
does not mean k is 2d
* doc/developer.html: <emph> -> <em>, and fixed missing close tag
(why have I been closing everything with </code>?)
* mpb-ctl/mpb.c: added missing return statements in error code
Mon Nov 15 23:51:42 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* TODO: we can't add HDF4 support because the HDF4 license
conflicts with the GPL
* TODO: updated; we now restart CG every 100 iterations
* mpb-ctl/mpb.c: Use EIGS_VERBOSE flag when run with --verbose.
We should probably print even more output than we already do with
this flag.
* configure.in: Fixed version number.
* mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, doc/user-ref.html: Added
"deterministic?" and "iterations" input and output variables.
* src/matrices/eigensolver.h, src/util/mpiglue.h,
src/matrices/eigensolver.c: Periodically print feedback in
eigensolver, even when EIGS_VERBOSE is not set, if the user is
kept waiting more than a couple of seconds. Also, implement
resetting of CG direction every 100 iters (determined by some
experimentation with the 5x5 defect).
Sun Nov 14 20:29:37 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/eigs_test.c, tests/malloctest.c, tests/maxwell_test.c,
src/util/mpi_utils.h, src/util/mpiglue.h, tests/blastest.c,
src/util/check.h, src/util/debug_malloc.c, src/util/fortranize.h,
src/util/mpi_utils.c, src/maxwell/maxwell_eps.c,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h,
src/matrices/matrices.h, src/matrices/scalar.h,
src/matrices/sqmatrix.c, src/matrices/eigensolver.h,
src/matrices/evectmatrix.c, src/matrices/matrices.c,
src/matrices/blasglue.c, src/matrices/blasglue.h,
src/matrices/eigensolver.c, COPYRIGHT, mpb-ctl/mpb.c: fixed
indenting in COPYRIGHT
* mpb-ctl/Makefile.in, mpb-ctl/mpb.c, doc/installation.html,
doc/user-tutorial.html, configure.in, doc/developer.html,
doc/index.html, README, TODO, Makefile.in: Great Renaming II: we
are now MPB
* doc/index.html: noted mpb-discuss mailing list.
* configure.in: check for -lcxml in addition to -ldxml (name
changed due to acquisition by Compaq).
Fri Nov 12 20:46:38 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/photon.scm.in: Removed begin-time macro (moved it to
libctl).
* src/matrixio/matrixio.c, src/matrixio/matrixio.h,
src/config.h.in, src/matrixio/evectmatrixio.c,
src/matrixio/fieldio.c, TODO, configure.in: Added --without-hdf5
option (automatic when hdf5 libraries are not found).
* TODO: added some items
* TODO, configure.in: Fixed linking to ESSL on AIX.
* src/util/fortranize.h: don't need to define NO_FORTRAN_FUNCTIONS
here on AIX, since it's detected by configure.
Thu Nov 11 03:01:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in, doc/installation.html: Added --with-fastblas=<lib>
to try linking with -l<lib>.
* doc/developer.html, doc/introduction.html,
doc/acknowledgments.html: Several updates.
* tests/maxwell_test.c, src/maxwell/maxwell_op.c,
src/maxwell/maxwell_pre.c, tests/eigs_test.c,
src/matrices/eigensolver.c, src/matrices/eigensolver.h,
src/maxwell/maxwell.h, photon-ctl/photon.c,
photon-ctl/photon.scm.in, TODO, doc/user-ref.html: Implemented
fancy preconditioner. Also made different eigensolver iteration
schemes into runtime flags (instead of preprocessor #ifdefs).
Wed Nov 3 23:14:56 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/photon.scm.in: added elapsed time output
Mon Nov 1 22:52:13 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* TODO: updated to reflect recent improvements
Tue Oct 26 00:54:42 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/developer.html: Fixed missing </code> tags.
* photon-ctl/examples/tutorial.ctl, doc/user-ref.html,
doc/user-tutorial.html: Tutorial revisions, mainly to reflect new
mesh size.
* photon-ctl/photon.scm.in: Use default mesh of 3, like Fortran
code.
Mon Oct 25 21:06:14 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/developer.html: Wrote first-draft developer section.
* doc/introduction.html: small change
Thu Oct 21 22:06:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/photon.c: Use new geom_fix_objects and geom_box_tree
routines...the latter greatly speed up dielectric function
calculation!!
Wed Oct 20 22:45:55 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/photon.scm.in, configure.in: Added code to activate
readline in Guile 1.3.2+. Also shuffled around BLAS libraries
somewhat. Try the atlas library, and stop checking for BLAS
libraries after we find one.
Tue Oct 19 00:30:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/examples/tutorial.ctl: added comments to output.
Mon Oct 18 19:25:58 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/examples/tutorial.ctl: Added file of commands from
the User Tutorial (in the manual).
Wed Oct 13 23:11:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: Fixed bug when gcc and/or Guile are installed in
non-standard directories.
Fri Oct 1 19:44:34 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/blasglue.c: herk routines take only *real*
coefficients to multiply matrices by.
Thu Sep 30 19:35:50 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/photon.c: Check NWORK size before using W[0], W[1].
Fri Sep 17 00:15:29 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/malloctest.c: DEBUG -> DEBUG_MALLOC
* src/util/debug_malloc.c, configure.in, src/config.h.in,
src/util/check.h: split --enable-debug-malloc into separate flag,
added --with-efence, removed a couple of Fortran library checks
(should be added automatically by AC_F77_LIBRARY_LDFLAGS), and
moved ordering of Guile libs.
Thu Sep 16 23:09:22 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/eigs_test.c, tests/malloctest.c, tests/maxwell_test.c,
src/util/debug_malloc.c, src/util/mpi_utils.c, tests/blastest.c,
src/maxwell/maxwell_eps.c, src/maxwell/maxwell_op.c,
src/maxwell/maxwell_pre.c, src/matrices/evectmatrix.c,
src/matrices/matrices.c, src/matrices/sqmatrix.c,
src/maxwell/maxwell.c, src/matrices/blasglue.c,
src/matrices/eigensolver.c, configure.in, photon-ctl/photon.c:
Changed #include <config.h> to #include "path/config.h", where
path is the appropriate relative path. This way, we can compile
on the @#$#@-ing Origin, which includes a file called config.h in
one of its system header directories.
* src/maxwell/maxwell_eps.c, tests/maxwell_test.c,
src/maxwell/Makefile.in, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, photon-ctl/photon.c: Separated epsilon
tensor calculation into maxwell_eps.c, and compute normal vectors
using separate "moment mesh."
* photon-ctl/Makefile.in: Rebuild program when libraries change.
* photon-ctl/examples/sq-rods.ctl: run-tm, not run.
Wed Sep 15 03:05:32 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: Fixed library detection for SGI.
* configure.in: Added more warnings.
* tests/blastest.c: Got rid of warning about unused main() params.
Tue Sep 14 18:24:59 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/Makefile.in, tests/malloctest.c: Added malloctest.
* src/util/debug_malloc.c: Noted provenance of debug_malloc and
friends.
Mon Sep 13 18:45:17 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/acknowledgments.html: Fixed ack's.
Sun Sep 12 01:47:36 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: compress test program a little
* configure.in: Replaced m4 "dnl" comments with sh "#" comments
(this means that they get passed through to the configure script,
but so what).
Fri Sep 10 23:41:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/blasglue.c: Reverted changes (which I hadn't meant
to commit)--passing args as strings doesn't help things on the
$*@#$ alpha.
* photon-ctl/Makefile.in: added explanatory comment.
* configure.in, photon-ctl/Makefile.in: --program-suffix, etcetera
now work.
* doc/installation.html: Documented new libctl & photon
installation procedure.
* configure.in: Added AC_PROG_INSTALL check.
* install-sh, config.sub, config.guess: Updated versions of
autoconf files.
* tests/Makefile.in, src/matrixio/Makefile.in,
src/maxwell/Makefile.in, src/util/Makefile.in,
photon-ctl/photon.scm.in, src/matrices/Makefile.in,
src/matrices/blasglue.c, photon-ctl/Attic/photon.scm,
photon-ctl/Makefile.in, photon-ctl/photon.c, Makefile.in, TODO,
configure.in: Mirrored changes in libctl (which is now installed
in a central location). Also, separated CFLAGS from -I flags (so
that CFLAGS can be overridden more easily). configure script now
looks for Guile, libctl.
Thu Sep 9 18:07:15 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* README: Mentioned contact addresses in manual.
* README: Refer readers to the manual.
* doc/user-ref.html, doc/user-tutorial.html,
doc/installation.html, doc/introduction.html, doc/license.html,
doc/acknowledgments.html, doc/index.html: Made changes suggested
by John. In particular, we are now the "MIT Photonic-Bands"
package.
* doc/user-tutorial.html: Discussed units.
* doc/introduction.html: Made a stab at an introduction.
Wed Sep 8 22:12:05 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* TODO: Added a couple more items.
* doc/acknowledgments.html, doc/developer.html, doc/index.html:
Added acknowledgments section.
* doc/user-ref.html: Wrote "Field manipulation functions" section.
Tue Sep 7 23:28:42 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-ref.html: put types in <code> font
* doc/user-ref.html: Added output functions section.
* photon-ctl/photon.scm: Added combine-band-functions.
* photon-ctl/photon.scm: Set gap-list to '() if there are 1 or
fewer k-points in the run function.
* doc/user-ref.html: added more sections.
Mon Sep 6 06:26:22 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: bug fix
* doc/user-tutorial.html: Fixed lie.
* doc/user-tutorial.html: grammar fix
* doc/user-ref.html: fixed another tag
* doc/user-ref.html: fixed tag
* doc/user-ref.html: added another link
* doc/user-ref.html: small correction
* doc/developer.html, doc/user-ref.html: More useful additions.
Started on the reference section.
* photon-ctl/photon.scm, photon-ctl/photon.c: Split
randomize-fields into a separate function; less hackery this way.
* photon-ctl/photon.scm, doc/user-tutorial.html,
photon-ctl/photon.c: Made it easier to re-run without
reinitializing fields.
Sun Sep 5 23:48:29 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html: Added mode-tuning tutorial.
* configure.in: Don't prefer vendor cc to gcc (since
performance-critical code is in libs).
* src/config.h.in, src/matrices/blasglue.c, configure.in:
configure now checks to see if function return value from zdotc is
okay.
* photon-ctl/photon.c: Small fix: hdf output description now
includes frequency of correct band.
* photon-ctl/photon.c, photon-ctl/photon.scm, TODO: Implemented
items on TODO list:
dimensions < true_rank should make grid sizes 1 in extra
dimensions.
Prevent sumte/sumtm/sumfrq header lines from being output when not
needed (put in solve-kpoint, when called with kpoint_index == 0,
instead of in init_params).
Add "filename-prefix" input variable for adding a prefix to all
output filenames.
Prepend "k" and "b" to k-point and band indices in output
filenames.
Start band indices with one.
* doc/user-tutorial.html: another small change
* doc/user-tutorial.html: another small fix
* doc/user-tutorial.html: small change
* doc/user-tutorial.html: Added point-defect example.
* photon-ctl/photon.c: Perform center-shifting correctly now (I
hope).
* photon-ctl/photon.scm: Only output gaps if there is more than
one k point.
Sat Sep 4 23:25:59 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* TODO, doc/user-tutorial.html, photon-ctl/photon.c: Fixed bug for
non-square lattices (G was transposed).
* src/util/mpiglue.h, tests/maxwell_test.c,
src/matrixio/matrixio.c, src/matrixio/matrixio.h,
src/maxwell/maxwell.c, src/matrixio/evectmatrixio.c,
src/matrixio/fieldio.c, configure.in, photon-ctl/Makefile.in,
photon-ctl/photon.c: Turned on all gcc warnings and eliminated
them whereever practical.
* doc/user-tutorial.html: Added more subsections.
* TODO: updated list
* photon-ctl/photon.c: Shifted origin to the center of the grid
(this does not affect inversion symmetry).
* photon-ctl/photon.scm: Added gap-list computation.
Fri Sep 3 05:30:10 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/installation.html, doc/user-tutorial.html, doc/index.html:
Slowly building the manual...
Thu Sep 2 22:50:20 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html, doc/installation.html,
doc/introduction.html: Added more to the manual.
* photon-ctl/examples/sq-rods.ctl, photon-ctl/examples/bragg.ctl,
photon-ctl/photon.scm: Added alias, "dielectric", for
"material-type".
* doc/installation.html: Wrote installation section.
Wed Sep 1 23:44:39 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* doc/user-tutorial.html, doc/index.html, doc/installation.html,
doc/introduction.html, doc/license.html, doc/user-ref.html,
doc/developer.html: Added documentation outline.
* photon-ctl/photon.scm: revamped (run) functions; they're
actually useful now.
* photon-ctl/photon.c: Moved display_object_info to libgeom.
* photon-ctl/Makefile.in: Added dependency rule for geom.scm.
* photon-ctl/photon.scm, photon-ctl/photon.c: Added
compute-energy-in-objects, plus ability to let init-params not
reinitialize the fields.
* photon-ctl/photon.c: note breakage under mpi of field output.
* src/matrixio/matrixio.h, src/maxwell/maxwell.h,
src/maxwell/maxwell_op.c, src/matrixio/Makefile.in,
src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c,
src/matrixio/matrixio.c, photon-ctl/Makefile.in,
photon-ctl/photon.c, photon-ctl/photon.scm, Makefile.in,
configure.in: Added matrixio (HDF5 output capability).
Tue Aug 31 22:07:52 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/maxwell/maxwell.h, src/maxwell/maxwell.c: k vector is passed
to maxwell function in the basis of the reciprocal lattice
vectors!
* src/maxwell/maxwell_op.c: Compute transform with correct sign
(makes a difference for field output in structures lacking
inversion symmetry).
* src/maxwell/maxwell_op.c: fixed comment.
* src/maxwell/maxwell_op.c: Broke out E/H computations into
subroutines, to prepare for HDF output and position-space
calculations.
* configure.in: Cleaned up a little, and fixed (I think?) order of
linking BLAS libs.
Mon Aug 30 20:31:20 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* photon-ctl/examples/bragg.ctl, photon-ctl/examples/sq-rods.ctl:
Added a couple of examples (very half-baked at this point).
* configure.in: Added (untested) checks for BLAS in
vendor-specific libraries (which, I *think*, include an optimized
BLAS).
* configure.in: Fixed --help output to reflect fact that
--enable-complex is the default.
* photon-ctl/photon.c: Print out radius for cylinders.
* photon-ctl/photon.c, photon-ctl/photon.scm: Allow polarization
of solution to be set.
* photon-ctl/photon.c: removed newlines.
* README, TODO: Updated info.
* tests/maxwell_test.c, src/util/mpiglue.h, tests/blastest.c,
tests/eigs_test.c, src/util/debug_malloc.c, src/util/fortranize.h,
src/util/mpi_utils.c, src/util/mpi_utils.h,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/util/check.h, src/matrices/sqmatrix.c, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/matrices/matrices.c,
src/matrices/matrices.h, src/matrices/scalar.h,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/eigensolver.h, src/matrices/evectmatrix.c,
photon-ctl/photon.c, photon-ctl/photon.scm,
src/matrices/blasglue.c, COPYING, COPYRIGHT: GPL-ed everything.
* Makefile.in: 'make distclean' should remove config.status.
* src/maxwell/maxwell.h, src/maxwell/maxwell_op.c,
tests/maxwell_test.c, photon-ctl/photon.c, photon-ctl/photon.scm,
src/maxwell/maxwell.c, Makefile.in, configure.in,
photon-ctl/Makefile.in: Added first pass at a user interface
(photon-ctl).
Sat Jul 17 17:58:07 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c, src/maxwell/maxwell.c,
src/maxwell/maxwell_op.c: Implemented num_fft_bands != num_bands.
Fri Jul 16 22:20:28 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/maxwell/maxwell.c: Added in epsilon tensor initialization
routine, and got rid of eps_inv_mean[band] mess from maxwell_op
since it wasn't doing any good in the preconditioner.
Thu Jun 10 22:04:23 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c: Fixed -h help string.
* configure.in: Checked for ASCII project optimized Pentium Pro
BLAS library (libblasppro1).
Sat Jun 5 00:22:20 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c: Changed maxwell output format slightly;
added tolerance parameter.
* tests/maxwell_test.c: Whoops! TWOPI is a double, not
(implicitly) and int!
Fri Jun 4 23:14:43 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/maxwell_test.c: Default to quarter-wave stack.
* tests/maxwell_test.c, src/maxwell/maxwell.h,
src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
src/matrices/eigensolver.c, src/matrices/eigensolver.h,
src/maxwell/maxwell.c: Added code to find maxwell eigenvals
"targeted" around a particular frequency. The convergence is
slower than I would like, though.
* src/maxwell/maxwell_pre.c: For now, don't subtract eigenvals
from the preconditioner, as least not until I understand the
effects better. (Right now, seems to make convergence worse in
many cases, and also seems to mess up the convergence criteria for
the higher bands.)
Tue Jun 1 19:59:38 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/config.h.in, src/maxwell/maxwell.h, configure.in: Updated to
work with [ds]?r?fftw libraries (aren't regular expressions
wonderful?).
* tests/maxwell_test.c, src/util/mpi_utils.c,
src/util/mpi_utils.h, src/util/mpiglue.h, src/matrices/scalar.h:
Misc. changes.
* src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c: Separated
op and preconditioner into their own files.
Thu Feb 4 02:51:19 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/maxwell/maxwell.c, TODO: Check for k == 0 in when setting k
vector.
* TODO, src/matrices/eigensolver.c: Added stricter convergence
(convergence of each eigenvalue separately).
* tests/maxwell_test.c: Small fixes.
* tests/eigs_test.c, tests/maxwell_test.c, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, src/matrices/eigensolver.c,
src/matrices/eigensolver.h, src/maxwell/Makefile.in, Makefile.in,
TODO, configure.in, src/config.h.in: Allowed discrimination
between TE and TM modes.
Wed Feb 3 22:55:15 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* configure.in: Added profiling flags to existing flags, instead
of replacing.
* configure.in: Fixed ordering of checks...
* src/config.h.in, tests/maxwell_test.c, configure.in: Added
--enable-prof.
* tests/maxwell_test.c, src/maxwell/maxwell.c,
src/maxwell/maxwell.h, tests/eigs_test.c,
src/matrices/eigensolver.h, src/matrices/eigensolver.c, TODO: Lots
of changes to eigensolver routine and preconditioners, yielding
dramatic improvements in convergence. The most important thing
new is that we now diagonalize the subspace on each iteration of
eigensolver. This makes the preconditioner much more sensible,
and also allows us to subtract the eigenval from the
preconditioner (a better approximation, hopefully, to the correct
Hessian).
Sun Jan 31 07:49:01 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/maxwell/maxwell.c, src/maxwell/maxwell.h: No need to store
k+G in k_data since we don't use this information.
* tests/maxwell_test.c, TODO, src/maxwell/maxwell.c: Maxwell seems
like it might be working!
Sat Jan 30 22:17:11 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/scalar.h, tests/eigs_test.c: Made complex
eigenvector output in eigs_test more uniform.
* tests/Makefile.in: Whoops! make clean should delete
eigs_test.o.
* src/matrices/eigensolver.c: Removed unused lines.
* tests/maxwell_test.c, src/maxwell/maxwell.h, src/util/check.h,
src/util/debug_malloc.c, tests/Makefile.in,
src/matrices/eigensolver.c, src/maxwell/maxwell.c, Makefile.in,
TODO, configure.in, src/config.h.in: Fixed uninitialized D bug in
eigensolver.c (doh!). Added test for maxwell operator code, and
got maxwell closer to working (I hope).
Fri Jan 29 20:52:08 1999 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/Attic/Makefile, tests/Makefile.in, tests/blastest.c,
tests/eigs_test.c, src/util/Makefile.in, src/util/debug_malloc.c,
src/util/mpi_utils.c, src/maxwell/Makefile.in,
src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/matrices/eigensolver.c, src/matrices/evectmatrix.c,
src/matrices/matrices.c, src/matrices/sqmatrix.c, src/config.h.in,
src/matrices/Makefile.in, src/matrices/blasglue.c, config.guess,
config.sub, configure.in, install-sh, Makefile.in:
"Autoconfiscated" everything (i.e. adapted for use with GNU
autoconf portability tools).
* src/matrices/scalar.h: Separate scalar_complex type that is
always defined.
* src/maxwell/maxwell.c, src/maxwell/maxwell.h,
src/maxwell/README: Initial version of Maxwell operator code.
Mon Aug 10 23:32:35 1998 Steven G. Johnson <stevenj@alum.mit.edu>
* src/matrices/eigensolver.c: Noted that A and C are assumed to be
linear.
* tests/eigs_test.c, src/matrices/eigensolver.c,
src/matrices/eigensolver.h: Added callback data pointer to
eigensolver.
Sat Aug 8 19:18:06 1998 Steven G. Johnson <stevenj@alum.mit.edu>
* tests/blastest.c, tests/eigs_test.c: Made sure that solving for
complex eigenvectors works. (Hooray!)
* src/util/fortranize.h, src/matrices/blasglue.c: Worked around
problems accessing Fortran function return values on the RS/6000.
* tests/eigs_test.c: For complex scalars, create complex matrix.
* src/matrices/scalar.h: Bug fix in ASSIGN_SCALAR for complex.
* src/matrices/README: Columns, not rows, of Y are the
eigenvectors.
* src/matrices/evectmatrix.c, src/matrices/matrices.h,
src/matrices/sqmatrix.c, src/matrices/eigensolver.c: Some minor
cleanup in function interfaces.
* src/matrices/eigensolver.c: Changed confusing use of "X" in
comment.
* src/matrices/README: Noted eigensolver.c.
* README: Updated to note eigensolvers.
* src/util/fortranize.h: "Cray" is not an acronym.
* src/util/fortranize.h, src/matrices/Attic/fortranize.h: Moved
fortranize.h to util directory.
* tests/Attic/Makefile: Makefile for test programs. This will
probably get replaced by something autoconf'y later, but it will
do for now.
* tests/blastest.c: Check for memory leaks at end.
* tests/eigs_test.c: Only print out A for n <= 10 instead of 20.
* src/matrices/eigensolver.c: Increased iteration limit and
included it in the failure message.
* tests/eigs_test.c: Added comparison of multiple tests (w/o CG,
w/o preconditioning, etcetera).
* src/matrices/matrices.h, src/matrices/sqmatrix.c: Added
sqmatrix_copy.
* tests/eigs_test.c: Got things working.
* src/util/check.h: Modified to enable debug_malloc/free when
DEBUG is defined. Does it work?
* src/matrices/eigensolver.c, src/matrices/sqmatrix.c: Eigensolver
now computes correct eigenvectors/values at the end. Fixed
problem with not enough memory being allocated for dense real
eigensolver of small sizes (U.p < 3).
Fri Aug 7 22:35:16 1998 Steven G. Johnson <stevenj@alum.mit.edu>
* src/util/mpi_utils.h: Fixed missing semicolon when not using
gcc.
* tests/eigs_test.c, tests/blastest.c, src/util/debug_malloc.c,
src/util/mpi_utils.c, src/util/mpi_utils.h, src/util/mpiglue.h,
src/util/check.h, src/matrices/Attic/fortranize.h,
src/matrices/matrices.c, src/matrices/matrices.h,
src/matrices/scalar.h, src/matrices/sqmatrix.c,
src/matrices/blasglue.h, src/matrices/eigensolver.c,
src/matrices/eigensolver.h, src/matrices/evectmatrix.c,
src/matrices/README, src/matrices/blasglue.c: Added starting code.
Wed May 20 01:18:50 1998 Steven G. Johnson <stevenj@alum.mit.edu>
* README: Created photonic-bands repository.
* README: Initial revision
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