PyPI project
acellera-openff-recharge
2 indexed releases ยท newest sdist 0.5.3.post1 with 80 indexed members
Files in 0.5.3.post1 acellera_openff_recharge-0.5.3.post1.tar.gz
- openff/recharge/__init__.py
- openff/recharge/_pydantic.py
- openff/recharge/_tests/__init__.py
- openff/recharge/_tests/aromaticity/__init__.py
- openff/recharge/_tests/aromaticity/test_aromaticity.py
- openff/recharge/_tests/charges/__init__.py
- openff/recharge/_tests/charges/resp/__init__.py
- openff/recharge/_tests/charges/resp/test_resp.py
- openff/recharge/_tests/charges/resp/test_solvers.py
- openff/recharge/_tests/charges/test_bcc.py
- openff/recharge/_tests/charges/test_library.py
- openff/recharge/_tests/charges/test_qc.py
- openff/recharge/_tests/charges/test_vsite.py
- openff/recharge/_tests/cli/__init__.py
- openff/recharge/_tests/cli/conftest.py
- openff/recharge/_tests/cli/test_generate.py
- openff/recharge/_tests/cli/test_reconstruct.py
- openff/recharge/_tests/conformers/__init__.py
- openff/recharge/_tests/conformers/test_conformers.py
- openff/recharge/_tests/conftest.py
- openff/recharge/_tests/data/__init__.py
- openff/recharge/_tests/esp/__init__.py
- openff/recharge/_tests/esp/test_esp.py
- openff/recharge/_tests/esp/test_psi4.py
- openff/recharge/_tests/esp/test_qcresults.py
- openff/recharge/_tests/esp/test_storage.py
- openff/recharge/_tests/grids/__init__.py
- openff/recharge/_tests/grids/test_grids.py
- openff/recharge/_tests/optimize/__init__.py
- openff/recharge/_tests/optimize/test_optimize.py
- openff/recharge/_tests/utilities/__init__.py
- openff/recharge/_tests/utilities/test_geometry.py
- openff/recharge/_tests/utilities/test_molecule.py
- openff/recharge/_tests/utilities/test_tensors.py
- openff/recharge/_tests/utilities/test_toolkits.py
- openff/recharge/_version.py
- openff/recharge/aromaticity/__init__.py
- openff/recharge/aromaticity/_aromaticity.py
- openff/recharge/charges/__init__.py
- openff/recharge/charges/_charges.py
- openff/recharge/charges/bcc.py
- openff/recharge/charges/exceptions.py
- openff/recharge/charges/library.py
- openff/recharge/charges/qc.py
- openff/recharge/charges/resp/__init__.py
- openff/recharge/charges/resp/_resp.py
- openff/recharge/charges/resp/solvers.py
- openff/recharge/charges/vsite.py
- openff/recharge/cli/__init__.py
- openff/recharge/cli/cli.py
- openff/recharge/cli/generate.py
- openff/recharge/cli/reconstruct.py
- openff/recharge/conformers/__init__.py
- openff/recharge/conformers/_conformers.py
- openff/recharge/conformers/exceptions.py
- openff/recharge/data/__init__.py
- openff/recharge/data/bcc/__init__.py
- openff/recharge/data/psi4/__init__.py
- openff/recharge/esp/__init__.py
- openff/recharge/esp/_esp.py
- openff/recharge/esp/exceptions.py
- openff/recharge/esp/psi4.py
- openff/recharge/esp/qcresults.py
- openff/recharge/esp/storage/__init__.py
- openff/recharge/esp/storage/_storage.py
- openff/recharge/esp/storage/db.py
- openff/recharge/esp/storage/exceptions.py
- openff/recharge/grids/__init__.py
- openff/recharge/grids/_grids.py
- openff/recharge/optimize/__init__.py
- openff/recharge/optimize/_optimize.py
- openff/recharge/utilities/__init__.py
- openff/recharge/utilities/exceptions.py
- openff/recharge/utilities/geometry.py
- openff/recharge/utilities/molecule.py
- openff/recharge/utilities/pydantic.py
- openff/recharge/utilities/tensors.py
- openff/recharge/utilities/toolkits.py
- setup.py
- versioneer.py
Indexed releases
- 0.5.3.post1
acellera_openff_recharge-0.5.3.post1.tar.gz80 members - 0.5.3
acellera_openff_recharge-0.5.3.tar.gz80 members