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Package: supercell (2.1.1+~0.0~git20221028.d8eeb73-3 and others)

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structure generation for crystals with substitutions and partial occupancies

supercell is a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals. It uses supercell approximation and enumeration algorithm to convert structures with vacancies and/or substitution to "binary" occupied. The program mostly uses to prepare DFT calculations of battery matrials, semiconductors etc.

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Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha (unofficial port) 2.1.1+~0.0~git20221028.d8eeb73-3 642.2 kB2,636.0 kB [list of files]
amd64 2.1.1+~0.0~git20221028.d8eeb73-3 659.8 kB2,598.0 kB [list of files]
arm64 2.1.1+~0.0~git20221028.d8eeb73-3 625.7 kB2,571.0 kB [list of files]
armhf 2.1.1+~0.0~git20221028.d8eeb73-3 617.0 kB2,313.0 kB [list of files]
hppa (unofficial port) 2.1.1+~0.0~git20221028.d8eeb73-2 657.6 kB2,543.0 kB [list of files]
i386 2.1.1+~0.0~git20221028.d8eeb73-3 679.9 kB2,612.0 kB [list of files]
loong64 2.1.1+~0.0~git20221028.d8eeb73-3 644.9 kB2,634.0 kB [list of files]
ppc64 (unofficial port) 2.1.1+~0.0~git20221028.d8eeb73-3 668.5 kB2,766.0 kB [list of files]
ppc64el 2.1.1+~0.0~git20221028.d8eeb73-3 675.3 kB2,762.0 kB [list of files]
riscv64 2.1.1+~0.0~git20221028.d8eeb73-3 656.6 kB2,394.0 kB [list of files]
s390x 2.1.1+~0.0~git20221028.d8eeb73-3 658.4 kB2,622.0 kB [list of files]
sparc64 (unofficial port) 2.1.1+~0.0~git20221028.d8eeb73-3 609.0 kB2,834.0 kB [list of files]
x32 (unofficial port) 2.1.1+~0.0~git20221028.d8eeb73-3 653.6 kB2,529.0 kB [list of files]