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GBpy
GBpy PublicForked from adehgha/GBpy
GBpy is an opensource python package for calculating the geometric properties of interfaces in crystals.
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grain-boundary-genie
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My work at Argonne during summer 2016.
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MPInterfaces
MPInterfaces PublicForked from henniggroup/MPInterfaces
Python package that enables high throughput analysis of interfaces(ligands/solvent/hetero-structures) using VASP, VASPsol and materialsproject tools
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supercell
supercell PublicForked from orex/supercell
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
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pseudo_dojo
pseudo_dojo PublicForked from abinit/pseudo_dojo
Python framework for generating and validating pseudo potentials
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