Patch release with a single bug fix. Bug Fixes https://github.com/mosdef-hub/forcefield-utilities/commit/c74ece9bd6d4e0d609b8aed56d862beaeadced4f Simplify Loading of XMLs. Closes #15 (#16) by @umesh-timalsina. Deprecation The keyword argument rel_to_module in XML Loaders for foyer has been deprecated and will be removed in the next minor release of the package
This is a hotfix release to ensure compatibility with NetworkX 2.x (up to at least 2.4). Fixes Upda...
Features Decouple forcefield from atomtyping step (#467) Bug Fixes Return periodic torsion parame...
Features Establish entry points for external force fields (#282) Separate parametrization step into...
Patch release with a single bug fix. Bug Fixes f9cf2d3 Add per mol to bonded k-constants and reorga...
Features copy over ff.combining_rule by @daico007 in https://github.com/mosdef-hub/forcefield-utili...
This is a patch release for making foyer compatible with latest API changes in openmm version 7.6. M...
Features Add functions to make forcefield-utilities functional as a backend loader by @CalCraven in...
Features Add version attribute to ForceField class and XML schema (#298) Expand OPLS-AA XML coverag...
Features Add combining rule to TRAPPE-UA XML (#452) Integrate ele to the atomtyping step (#428) Up...
Maintenance Entrypoints Conda (To ensure that we have our plugins supported) (#345) Update foyer do...
Features Native method to get parameters from a Forcefield object (#382) Decouple parmed from the f...
Bug fixes This is a bug fix release. Add __init__py for the foyer.tests module. Fixing a bug in mbu...
Maintenance [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in (#32, #34) Support Pydantic ...
Breaking Changes Foyer now officially supports Python 3.7. Python 3.5 is no longer packaged or used ...
Breaking Change Officially drop Python 2.7 (#257) Feature Add workaround function for applying nbfi...
This is a hotfix release to ensure compatibility with NetworkX 2.x (up to at least 2.4). Fixes Upda...
Features Decouple forcefield from atomtyping step (#467) Bug Fixes Return periodic torsion parame...
Features Establish entry points for external force fields (#282) Separate parametrization step into...
Patch release with a single bug fix. Bug Fixes f9cf2d3 Add per mol to bonded k-constants and reorga...
Features copy over ff.combining_rule by @daico007 in https://github.com/mosdef-hub/forcefield-utili...
This is a patch release for making foyer compatible with latest API changes in openmm version 7.6. M...
Features Add functions to make forcefield-utilities functional as a backend loader by @CalCraven in...
Features Add version attribute to ForceField class and XML schema (#298) Expand OPLS-AA XML coverag...
Features Add combining rule to TRAPPE-UA XML (#452) Integrate ele to the atomtyping step (#428) Up...
Maintenance Entrypoints Conda (To ensure that we have our plugins supported) (#345) Update foyer do...
Features Native method to get parameters from a Forcefield object (#382) Decouple parmed from the f...
Bug fixes This is a bug fix release. Add __init__py for the foyer.tests module. Fixing a bug in mbu...
Maintenance [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in (#32, #34) Support Pydantic ...
Breaking Changes Foyer now officially supports Python 3.7. Python 3.5 is no longer packaged or used ...
Breaking Change Officially drop Python 2.7 (#257) Feature Add workaround function for applying nbfi...
This is a hotfix release to ensure compatibility with NetworkX 2.x (up to at least 2.4). Fixes Upda...
Features Decouple forcefield from atomtyping step (#467) Bug Fixes Return periodic torsion parame...
Features Establish entry points for external force fields (#282) Separate parametrization step into...
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