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Pakket: supercell (2.1.1+~0.0~git20221028.d8eeb73-2)

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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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Pakket downloaden voor alle beschikbare platforms
Platform Pakketgrootte Geïnstalleerde grootte Bestanden
alpha (unofficial port) 642,3 kB2.636,0 kB [overzicht]
amd64 661,1 kB2.598,0 kB [overzicht]
arm64 625,6 kB2.571,0 kB [overzicht]
armhf 616,0 kB2.313,0 kB [overzicht]
hppa (unofficial port) 657,6 kB2.543,0 kB [overzicht]
i386 680,1 kB2.612,0 kB [overzicht]
loong64 644,0 kB2.634,0 kB [overzicht]
ppc64 (unofficial port) 667,1 kB2.766,0 kB [overzicht]
ppc64el 674,2 kB2.762,0 kB [overzicht]
riscv64 659,4 kB2.398,0 kB [overzicht]
s390x 659,8 kB2.622,0 kB [overzicht]
sparc64 (unofficial port) 610,7 kB2.834,0 kB [overzicht]
x32 (unofficial port) 652,7 kB2.529,0 kB [overzicht]