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.. _TUT\:sec\:pg-based-tut:
Program Based Tutorials
=======================
The |molcas| suite of Quantum Chemical programs is modular in
design. The desired calculation is achieved by executing a list of
|molcas| program modules in succession, while potentially manipulating
the program information files. If the information files from a previous
calculation are saved, then a subsequent calculation need not recompute
them. This is dependent on the correct information being preserved in
the information files for subsequent calculations.
Each module has keywords to specify the
functions to be carried out, and many modules rely on the
specification of keywords in previous modules.
The following sections describe the use of the |molcas| modules and
their inter-relationships. Each module is introduced in the
approximate order for performing a typical calculation.
A complete flowchart for the |molcas| suite of programs follows.
.. toctree::
flowchart
tut_emil
tut_gateway
tut_seward
tut_scf
tut_mbpt2
tut_rasscf
tut_caspt2
tut_nevpt2
tut_rassi
tut_casvb
tut_motra
tut_guga
tut_mrci
tut_cpf
tut_ccsdt
tut_optimiza
tut_mckinley
tut_mclr
tut_genano
tut_ffpt
tut_vibrot
tut_single_aniso
tut_poly_aniso
tut_grid_it
tut_molden
tut_expbas
tut_errors
tut_hints
.. tut_alaska
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