CHANGELOG.md
LICENSE
MANIFEST.in
README.md
build_requirements.txt
dev_requirements.txt
doc_requirements.txt
pyproject.toml
setup.py
test_requirements.txt
casm/tools/calc/__init__.py
casm/tools/calc/commands/__init__.py
casm/tools/calc/commands/main.py
casm/tools/calc/commands/status.py
casm/tools/calc/commands/submit.py
casm/tools/calc/commands/vasp.py
casm/tools/calc/handlers/__init__.py
casm/tools/calc/handlers/_vasp.py
casm/tools/calc/methods/__init__.py
casm/tools/calc/methods/_import.py
casm/tools/calc/scripts/__init__.py
casm/tools/calc/scripts/vasp/relaxandstatic.sh
casm/tools/calc/scripts/vasp/test.sh
casm/tools/map/_StructureMappingSearch.py
casm/tools/map/__init__.py
casm/tools/map/methods.py
casm/tools/map/commands/__init__.py
casm/tools/map/commands/main.py
casm/tools/map/commands/search.py
casm/tools/map/commands/search2.py
casm/tools/map/commands/write.py
casm/tools/shared/__init__.py
casm/tools/shared/ase_utils.py
casm/tools/shared/contexts.py
casm/tools/shared/file_utils.py
casm/tools/shared/json_io.py
casm/tools/shared/structure_io.py
casm/tools/shared/text_io.py
casm_tools.egg-info/PKG-INFO
casm_tools.egg-info/SOURCES.txt
casm_tools.egg-info/dependency_links.txt
casm_tools.egg-info/entry_points.txt
casm_tools.egg-info/requires.txt
casm_tools.egg-info/top_level.txt
doc/.gitignore
doc/bibliography.rst
doc/conf.py
doc/index.rst
doc/installation.rst
doc/refs.bib
doc/usage.rst
doc/_static/apple-touch-icon.png
doc/_static/favicon-16x16.png
doc/_static/favicon-32x32.png
doc/_static/logo.pdf
doc/_static/logo.svg
doc/_static/logo_dark.svg
doc/_static/logo_dark_outline.svg
doc/_static/logo_outline.svg
doc/_static/small_logo.pdf
doc/_static/small_logo.svg
doc/_static/small_logo_dark.svg
doc/_static/css/custom.css
doc/_templates/base.rst
doc/_templates/custom-attr-template.rst
doc/_templates/custom-class-template.rst
doc/_templates/custom-function-template.rst
doc/_templates/custom-module-template.rst
doc/reference/casm/index.rst
doc/usage/casm_map.rst
tests/conftest.py
tests/calc/test_calc_vasp_report.py
tests/calc/test_calc_vasp_setup.py
tests/data/examples/calc_vasp_report_1/run.1/OUTCAR
tests/data/examples/calc_vasp_report_1/run.2/OUTCAR
tests/data/examples/calc_vasp_report_1/run.3/OUTCAR
tests/data/examples/calc_vasp_report_1/run.final/OUTCAR
tests/data/examples/calc_vasp_setup_1/POSCAR
tests/data/examples/calc_vasp_setup_1/structure.json
tests/data/examples/calc_vasp_setup_1/structure.xyz
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Cd/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Cd/PSCTR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Ge_d/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Ge_d/PSCTR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Mg_pv/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Mg_pv/PSCTR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/O/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/O/PSCTR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Si/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Si/PSCTR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Zr_sv/POTCAR
tests/data/examples/dummy_vasp_potentials/potpaw_PBE/Zr_sv/PSCTR
tests/data/examples/map_1/BCC_Li.json
tests/data/examples/map_1/BCC_Li.vasp
tests/data/examples/map_1/FCC_Li.vasp
tests/data/examples/map_1/HCP_Li.vasp
tests/data/examples/settings/calctype.MgCd_pbe/INCAR
tests/data/examples/settings/calctype.MgCd_pbe/KPOINTS
tests/data/examples/settings/calctype.MgCd_pbe/calc.json
tests/data/structures/BCC_Li.vasp
tests/data/structures/BCC_Li_conv.vasp
tests/data/structures/FCC_Li.vasp
tests/data/structures/HCP_Ag.vasp
tests/data/structures/HCP_Li.vasp
tests/map/test_map_search.py