- 15 Jul, 2025 1 commit
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Yannick Lemke authored
Fixes #5001. Signed-off-by:Yannick Lemke <yannick.lemke@posteo.de>
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- 01 Nov, 2023 1 commit
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Peter Eastman authored
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- 02 Nov, 2021 1 commit
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Peter Eastman authored
* updateParametersInContext() can change tabulated functions * Fixed error in building C wrappers * updateParametersInContext() can change tabulated functions for CustomCentroidBondForce * CustomNonbondedForce can update tabulated functions * CustomGBForce can update tabulated functions * CustomManyParticleForce can update tabulated functions * CustomHbondForce can update tabulated functions
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- 11 Aug, 2021 1 commit
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Josh A. Mitchell authored
* Proof of concept matching current behaviour with Breathe * Reorganise C++ API docs to work without autosummary * Revert to Sphinx-native search * Move remaining pip deps to conda * Remove unnecessary lunrsearch templates * Remove lunrsearch from cmake * Tidy up layout of API docs * Get code blocks to work with Breathe Breathe doesn't seem to support the Doxygen <preformatted> tag. It does support the <code> tag, but better yet it supports using <verbatim> tags to embed rst into docstrings. This commit changes all <pre> tags to use RST verbatim, and updates the Python documentation machinery to support it too. * Clarified some language * Have doxygen exclude undocumented classes and have sphinx fail on warnings for C++ API docs * List custom forces and integrators last * Add breathe to documentation CI * Typo * Fix link to custom forces in extras.rst * Have Breathe process only public classes * Strip OpenMM:: prefix from rst files to avoid colons in links * Remove existing private classes from EXCLUDE_SYMBOLS * Add comment to C++ cmake describing why we promote warnings to errors * Revise documentation build instructions for new dependencies
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- 21 Mar, 2019 1 commit
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peastman authored
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- 06 Dec, 2017 1 commit
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peastman authored
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- 12 Jul, 2016 1 commit
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peastman authored
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- 03 Nov, 2015 1 commit
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Robert McGibbon authored
Swigged python docstrings now include documented return values and type information or their arguments. They are generated in numpydoc format. Furthermore, all of the Python app layer docstrings have been changed to numpydoc format. The filterPythonFiles.py script which helps to generate the Doxygen Python API docs has been updated to reflect these changes.
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- 24 Sep, 2015 1 commit
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Peter Eastman authored
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- 06 May, 2015 1 commit
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peastman authored
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- 19 Mar, 2015 1 commit
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peastman authored
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- 13 Feb, 2015 1 commit
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peastman authored
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- 30 Dec, 2014 2 commits
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Jason Swails authored
the barostats and andersen thermostat.
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Jason Swails authored
the System. The System inspects all of its forces and calls usePeriodicBoundaryConditions -- it reports 'true' if at least one of its Forces returns 'true' for usesPeriodicBoundaryConditions. The default Force implementation is to raise an exception (NotImplementedError). The System implementation will return true if at least one of its Forces returns 'true' for usesPeriodicBoundaryConditions, _regardless_ of whether or not one or more of the forces does not implement the method. If at least one of the forces does not implement usesPeriodicBoundaryConditions and all forces return false, an OpenMMException is thrown.
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- 31 Jan, 2014 1 commit
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peastman authored
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs. Also fixed a few bugs.
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- 27 Jan, 2014 1 commit
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peastman authored
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- 23 Jan, 2014 2 commits
- 15 Apr, 2013 1 commit
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Yutong Zhao authored
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- 21 Dec, 2012 1 commit
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Peter Eastman authored
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- 07 Jun, 2012 1 commit
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Peter Eastman authored
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- 07 May, 2012 1 commit
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Peter Eastman authored
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- 11 Oct, 2010 1 commit
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Peter Eastman authored
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- 30 Sep, 2010 1 commit
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Peter Eastman authored
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- 05 May, 2010 1 commit
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Peter Eastman authored
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- 16 Apr, 2010 1 commit
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Peter Eastman authored
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- 06 Jan, 2010 1 commit
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Peter Eastman authored
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- 05 Jan, 2010 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 18 Dec, 2009 1 commit
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Peter Eastman authored
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- 11 Dec, 2009 2 commits
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Peter Eastman authored
Use a consistent (and more accurate) value for electric constant everywhere. Also cleaned up handling of constants and units in various places.
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Peter Eastman authored
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- 25 Nov, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 24 Nov, 2009 1 commit
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Peter Eastman authored
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- 19 Nov, 2009 1 commit
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Peter Eastman authored
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- 17 Nov, 2009 1 commit
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Peter Eastman authored
Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.
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- 11 Nov, 2009 1 commit
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Peter Eastman authored
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- 03 Nov, 2009 1 commit
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Peter Eastman authored
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- 12 Sep, 2009 1 commit
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Peter Eastman authored
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