MANIFEST.in
pyproject.toml
hotpot/__init__.py
hotpot/_io.py
hotpot/bundle.py
hotpot/cheminfo.py
hotpot/tmo.py
hotpot/tools.py
hotpot/data/periodic_table.json
hotpot/data/units.json
hotpot/data/force_field/contents.json
hotpot/data/force_field/UFF/LJ.json
hotpot/data/force_field/aMaterials/SiC.tersoff
hotpot/data/solvents/1,1,1-trichloroethane.mol2
hotpot/data/solvents/1,1,1-trifluroethanol.mol2
hotpot/data/solvents/1,1,2-trichloroethene.mol2
hotpot/data/solvents/1,1-dichloroethene.mol2
hotpot/data/solvents/1,1-diethoxypropane.mol2
hotpot/data/solvents/1,1-dimethoxymethane.mol2
hotpot/data/solvents/1,2-dichloroethane.mol2
hotpot/data/solvents/1,2-dichloroethene.mol2
hotpot/data/solvents/1,2-dimethoxyethane.mol2
hotpot/data/solvents/1,4-dioxane.mol2
hotpot/data/solvents/1-butanol.mol2
hotpot/data/solvents/1-pentanol.mol2
hotpot/data/solvents/1-propanol.mol2
hotpot/data/solvents/2,2-dimethoxypropane.mol2
hotpot/data/solvents/2-butanol.mol2
hotpot/data/solvents/2-ethoxyethanol.mol2
hotpot/data/solvents/2-methoxyethanol.mol2
hotpot/data/solvents/2-methyl-1-propanol.mol2
hotpot/data/solvents/2-methyltetrahydrofuran.mol2
hotpot/data/solvents/3-methyl-1-butanol.mol2
hotpot/data/solvents/DCM.mol2
hotpot/data/solvents/DMF.mol2
hotpot/data/solvents/DMSO.mol2
hotpot/data/solvents/N,N-dimethylacetamide.mol2
hotpot/data/solvents/N-methylpyrrolidone.mol2
hotpot/data/solvents/THF.mol2
hotpot/data/solvents/acetic_acid.mol2
hotpot/data/solvents/acetone.mol2
hotpot/data/solvents/acetonitrile.mol2
hotpot/data/solvents/benzene.mol2
hotpot/data/solvents/butylacetate.mol2
hotpot/data/solvents/carbon_tetrachloride.mol2
hotpot/data/solvents/chlorobenzene.mol2
hotpot/data/solvents/chloroform.mol2
hotpot/data/solvents/cumene.mol2
hotpot/data/solvents/cyclohexane.mol2
hotpot/data/solvents/diethylether.mol2
hotpot/data/solvents/diisopropylamine.mol2
hotpot/data/solvents/ethanol.mol2
hotpot/data/solvents/ethyl_formate.mol2
hotpot/data/solvents/ethylacetate.mol2
hotpot/data/solvents/ethyleneglycol.mol2
hotpot/data/solvents/formamide.mol2
hotpot/data/solvents/formic_acid.mol2
hotpot/data/solvents/heptane.mol2
hotpot/data/solvents/hexane.mol2
hotpot/data/solvents/isobutyl_acetate.mol2
hotpot/data/solvents/isooctane.mol2
hotpot/data/solvents/isopropanol.mol2
hotpot/data/solvents/isopropylacetate.mol2
hotpot/data/solvents/isopropylether.mol2
hotpot/data/solvents/meta-xylene.mol2
hotpot/data/solvents/methanol.mol2
hotpot/data/solvents/methoxybenzene.mol2
hotpot/data/solvents/methylacetate.mol2
hotpot/data/solvents/methylbutylketone.mol2
hotpot/data/solvents/methylcyclohexane.mol2
hotpot/data/solvents/methylethylketone.mol2
hotpot/data/solvents/methylisobutylketone.mol2
hotpot/data/solvents/methylisopropylketone.mol2
hotpot/data/solvents/morpholine.mol2
hotpot/data/solvents/nitromethane.mol2
hotpot/data/solvents/ortho-xylene.mol2
hotpot/data/solvents/para-xylene.mol2
hotpot/data/solvents/pentane.mol2
hotpot/data/solvents/propylacetate.mol2
hotpot/data/solvents/pyridine.mol2
hotpot/data/solvents/sulfolane.mol2
hotpot/data/solvents/t-butylmethylether.mol2
hotpot/data/solvents/tetralin.mol2
hotpot/data/solvents/toluene.mol2
hotpot/data/solvents/trichloroacetic_acid.mol2
hotpot/data/solvents/trifluoroacetic_acid.mol2
hotpot/data/solvents/water.mol2
hotpot/tanks/__init__.py
hotpot/tanks/cc.py
hotpot/tanks/features.py
hotpot/tanks/quantum.py
hotpot/tanks/lmp/__init__.py
hotpot/tanks/lmp/base.py
hotpot/tanks/lmp/gcmc.py
hotpot/tanks/lmp/materials.py
hotpot/utils/__init__.py
hotpot/utils/load_chem_lib.py
hotpot/utils/units_convert.py
hotpot_zzy.egg-info/PKG-INFO
hotpot_zzy.egg-info/SOURCES.txt
hotpot_zzy.egg-info/dependency_links.txt
hotpot_zzy.egg-info/requires.txt
hotpot_zzy.egg-info/top_level.txt
test/test_amorphous_maker.py
test/test_bundle.py
test/test_chemif.py
test/test_lmp.py