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dbcsr Public
Forked from cp2k/dbcsrDBCSR: Distributed Block Compressed Sparse Row matrix library
Fortran GNU General Public License v2.0 UpdatedDec 17, 2021 -
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Quantum chemistry and solid state physics software package
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heterojunction Public
Create surfaces and heterojunctions from two crystal structures
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librascal Public
Forked from lab-cosmo/librascalA scalable and versatile library to generate representations for atomic-scale learning
C++ GNU Lesser General Public License v3.0 UpdatedOct 17, 2020 -
glosim2 Public
Forked from lab-cosmo/glosim2A rehaul of the glosim code, adding new features and removing many unused ones.
Python MIT License UpdatedAug 13, 2020 -
cut-and-project-tiling Public
Forked from gglouser/cut-and-project-tilingCut-and-project tiling generator.
JavaScript MIT License UpdatedJul 30, 2020 -
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clusters Public
Extract clusters (atomic, molecular) from periodic systems
Python UpdatedSep 9, 2016