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[ 源代码: c2x  ]

软件包: c2x (2.40+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.

其他与 c2x 有关的软件包

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  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    同时作为一个虚包由这些包填实: libc6-udeb
  • dep: libsymspg1 (>= 1.16.1)
    C library for crystal symmetry determination

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硬件架构 软件包大小 安装后大小 文件
ppc64el 220.6 kB600 kB [文件列表]