- 29 Oct, 2021 1 commit
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Peter Eastman authored
* Added GLYCAM * Improved tests and documentation * Fixed incorrect external bonds
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- 26 Oct, 2021 1 commit
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Peter Eastman authored
* Adding support for new AMOEBA features * Support modern method of specifying in-plane angles * Implemented stretch-torsions * Implemented angle-torsions * More AMOEBA fixes * Bug fix * Converted AMOEBA 2018 force field * Added documentation for AMOEBA 2018 * Added a missing file for tests
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- 17 Sep, 2021 1 commit
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Peter Eastman authored
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- 08 Sep, 2021 1 commit
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Peter Eastman authored
* Created OBC2 that works with current force fields * Created HCT, OBC1, GBn, and GBn2 that works with current force fields * Added documentation for GB models * Updates to documentation and tests based on comments * Added formula for screening parameter
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- 16 Jul, 2021 1 commit
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Josh A. Mitchell authored
* Break user guide into parts * Break up file I missed * Add basic .gitignore to suit out-of-tree builds in build, build1, build2 ... build9 * Small changes to autonumber.py for doc compilation This is a small change designed not to fix the incorrect logic of autonumber.py, but just to get the docs compiling. While assigning numbers, the code now just ignores the autonumber_by_chapter setting for a particular object if it can't find the appropriate section in section_numbers. This is a temporary fix! * Include part and chapter in autonumbered objects * Fix autonumber.py to correctly reference autonumber roles in file-level sections * Unify and simplify styling across documentation * Break dev docs down into individual chapter-files * Correct absolute links to relative * Disable browser suggestions for lunrsearch box in API docs * Remove part name from chapter 2.1 * Rename ambiguous 'Home' link to OpenMM.org * Typo * Minor fixes...
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