软件包：c2x（2.41.b+ds-2） [debports]
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.
其他与 c2x 有关的软件包
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- dep: libc6 (>= 2.34)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb
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- dep: libsymspg2 (>= 2.2.0)
- C library for crystal symmetry determination