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[ 源代码: c2x  ]

软件包:c2x(2.35a+ds-1)

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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.

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下载可用于所有硬件架构的
硬件架构 软件包大小 安装后大小 文件
amd64 189.3 kB469.0 kB [文件列表]
arm64 168.7 kB457.0 kB [文件列表]
armel 184.0 kB504.0 kB [文件列表]
armhf 170.4 kB352.0 kB [文件列表]
i386 203.4 kB563.0 kB [文件列表]
mips64el 166.9 kB511.0 kB [文件列表]
mipsel 169.8 kB545.0 kB [文件列表]
ppc64el 187.8 kB605.0 kB [文件列表]
s390x 175.3 kB485.0 kB [文件列表]