[ ソース: c2x ]
パッケージ: c2x (2.35a+ds-1)
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 change and spin densities, wavefunctions, symmetry operations, and much else besides. It also interfaces with VASP, Siesta, and other electronic structure codes.
The code can also manipulate .cell and .pdb files, building supercells or performing shifts.
その他の c2x 関連パッケージ
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- dep: libc6 (>= 2.29)
- GNU C ライブラリ: 共有ライブラリ
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libsymspg1 (>= 1.16.0-1+b3)
- C library for crystal symmetry determination