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Paketti: c2x (2.40+ds-1)

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c2x

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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.

Muut pakettiin c2x liittyvät paketit

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    myös näennäispaketti, jonka toteuttaa libc6-udeb
  • dep: libsymspg1 (>= 1.16.1)
    C library for crystal symmetry determination

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