[ 原始碼： c2x ]
套件：c2x（2.41.b+ds-2）
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.
其他與 c2x 有關的套件
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- dep: libc6 (>= 2.34)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libsymspg2 (>= 2.2.0)
- C library for crystal symmetry determination