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Source: c2x
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:
Andrius Merkys <merkys@debian.org>,
Build-Depends:
debhelper-compat (= 13),
libsymspg-dev,
Standards-Version: 4.6.2
Homepage: https://www.c2x.org.uk
Vcs-Browser: https://salsa.debian.org/debichem-team/c2x
Vcs-Git: https://salsa.debian.org/debichem-team/c2x.git
Package: c2x
Architecture: any
Depends:
${misc:Depends},
${shlibs:Depends},
Description: converter between DFT electronic structure codes formats
This program should convert CASTEP's .check, .castep_bin, orbitals and .cell
to various other formats, particularly so that they can be visualised with
Jmol, XCrysDen, gnuplot and other programs. It can extract charge and spin
densities, wavefunctions, symmetry operations, and much else besides. It also
interfaces with Abinit, Quantum Espresso, Siesta, VASP, and other electronic
structure codes.
.
The code can also manipulate .cell and .pdb files, building supercells,
performing shifts, adding vacuum and rolling nanotubes.
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