Package: supercell
Version: 2.1.1+~0.0~git20221028.d8eeb73-4
Architecture: arm64
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 2505
Depends: libarchive13t64 (>= 3.2.1), libboost-filesystem1.90.0 (>= 1.90.0), libboost-program-options1.90.0 (>= 1.90.0), libc6 (>= 2.43), libgcc-s1 (>= 3.3.1), libstdc++6 (>= 14), libtbb12 (>= 2022.3.0)
Section: science
Priority: optional
Homepage: https://github.com/orex/supercell
Description: 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.
