Cvpack

Latest version: v0.12.2

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0.7.0

What's Changed
* Allows AttractionStrength extract reference value from a context by craabreu in https://github.com/RedesignScience/cvpack/pull/45
* Reduces testing time of sheet rmsd content CV by craabreu in https://github.com/RedesignScience/cvpack/pull/46
* Adds method to set unused force group by craabreu in https://github.com/RedesignScience/cvpack/pull/47
* Improves AtomicFunction and CentroidFunction CV (breaks API) by craabreu in https://github.com/RedesignScience/cvpack/pull/48
* Improves performance of unit tests by craabreu in https://github.com/RedesignScience/cvpack/pull/49
* Fixes NumberOfContacts CV (breaks API) by craabreu in https://github.com/RedesignScience/cvpack/pull/50
* Allows reference value redefinition for normalizing residue coordination by craabreu in https://github.com/RedesignScience/cvpack/pull/51
* Enhances effective mass calculation by ignoring null forces by craabreu in https://github.com/RedesignScience/cvpack/pull/52


**Full Changelog**: https://github.com/RedesignScience/cvpack/compare/v0.6.1...v0.7.0

0.6.0

What's Changed
* Adds new keyword argument to AttractionStrength by craabreu in https://github.com/RedesignScience/cvpack/pull/38
* Extends residue sequence support in Helix RMSD content by craabreu in https://github.com/RedesignScience/cvpack/pull/39
* Changes step function definition in helix RMSD content cv by craabreu in https://github.com/RedesignScience/cvpack/pull/40
* Adds beta-sheet RMSD content CV for a sequence of residues by craabreu in https://github.com/RedesignScience/cvpack/pull/41


**Full Changelog**: https://github.com/RedesignScience/cvpack/compare/v0.5.2...v0.6.0

0.5.2

What's Changed
* Adds named parameter option to CentroidFunction by craabreu in https://github.com/RedesignScience/cvpack/pull/36


**Full Changelog**: https://github.com/RedesignScience/cvpack/compare/v0.5.1...v0.5.2

0.5.1

- Fixes dependency issues

0.5.0

What's Changed
* Included workflow for noarch conda build and deployment by craabreu in https://github.com/RedesignScience/cvpack/pull/26
* Includes the RgSquared CV by craabreu in https://github.com/RedesignScience/cvpack/pull/27
* Moves doc and coverage report to GitHub Pages by craabreu in https://github.com/RedesignScience/cvpack/pull/28
* Changes Attraction Strength serialization by craabreu in https://github.com/RedesignScience/cvpack/pull/29
* Fixes bug in center-of-mass radii of gyration by craabreu in https://github.com/RedesignScience/cvpack/pull/31
* Updates testing and linting by craabreu in https://github.com/RedesignScience/cvpack/pull/33
* Changes conda host channel to mdtools by craabreu in https://github.com/RedesignScience/cvpack/pull/34
* Improves NumberOfContacts API and DOC by craabreu in https://github.com/RedesignScience/cvpack/pull/32
* Adds support for Python 3.11 and OpenMM 8.1 by craabreu in https://github.com/RedesignScience/cvpack/pull/35


**Full Changelog**: https://github.com/RedesignScience/cvpack/compare/v0.4.0...v0.4.3

0.4.0

What's Changed
* Improved use of units of measurement by craabreu in https://github.com/RedesignScience/cvpack/pull/21
* Extended the AtomicFunction collective variable by craabreu in https://github.com/RedesignScience/cvpack/pull/20
* Using precision digits to round computed values by craabreu in https://github.com/RedesignScience/cvpack/pull/24
* Implements attraction strength collective variable by craabreu in https://github.com/RedesignScience/cvpack/pull/25


**Full Changelog**: https://github.com/RedesignScience/cvpack/compare/v0.3.1...v0.4.0

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