"vscode:/vscode.git/clone" did not exist on "c0d1eb7bab94d06fb759ae85af168bc5a51359cd"
- 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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- 12 Mar, 2021 1 commit
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Peter Eastman authored
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- 04 Mar, 2021 1 commit
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Peter Eastman authored
* Replaced several AMOEBA bonded forces with custom forces * Deleted obsolete AMOEBA forces * Replaced AmoebaPiTorsionForce with custom force
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- 09 Feb, 2021 1 commit
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Peter Eastman authored
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- 06 Feb, 2021 1 commit
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Peter Eastman authored
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- 01 Feb, 2021 1 commit
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Peter Eastman authored
* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
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- 05 Jan, 2021 1 commit
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peastman authored
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- 25 Dec, 2020 1 commit
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peastman authored
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- 28 Jul, 2020 1 commit
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peastman authored
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- 01 Jul, 2020 1 commit
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Peter Eastman authored
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- 27 May, 2020 1 commit
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peastman authored
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- 06 May, 2020 1 commit
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peastman authored
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- 04 May, 2020 1 commit
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Andy Simmonett authored
* Convert Nose-Hoover into LF middle scheme by copying NH kernels * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator * Consolidate NH tests * NoseHooverChainKernel begone * Make Windows builds happy * Add missing header for Windows build * Fix mistake in CommonKernels header * Add 6th Yoshida-Suzuki and make it the default
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- 27 Feb, 2020 1 commit
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Andy Simmonett authored
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- 15 Nov, 2019 1 commit
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Andy Simmonett authored
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- 12 Nov, 2019 1 commit
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Andy Simmonett authored
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- 04 Nov, 2019 1 commit
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Andy Simmonett authored
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- 01 Nov, 2019 3 commits
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peastman authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 24 Oct, 2019 3 commits
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 30 Sep, 2019 1 commit
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peastman authored
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- 10 Sep, 2019 1 commit
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peastman authored
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- 19 Aug, 2019 1 commit
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Michael Schnieders authored
Fixed units in swigInputConfig.py for new Alchemical AMOEBA vdW methods exposed in the OpenMM API; implemented the getDefaultParameters() on the AmoebaVdwForceImpl to return 1.0 for AmoebaVdwAlpha; Use AmoebaVdwForce::Lambda() to refer to this parameter rather than the String AmoebaVdwAlpha
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- 05 Jul, 2019 1 commit
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peastman authored
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- 29 Apr, 2019 1 commit
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Peter Eastman authored
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- 09 Apr, 2019 1 commit
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peastman authored
* Created API for HIPPO force field * Beginning of reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Completed reference of HIPPO with no cutoff * Beginning cutoffs/PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Completed reference implementation of HIPPO * Cleanup and optimization to HIPPO reference * Further cleanup to HIPPO * Combined direct space interactions into a single loop * Compute direct space interactions in quasi-internal frame * Beginning of CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Finished CUDA implementation of HIPPO * More features and test cases for HippoNonbondedForce * Serialization and Python API for HippoNonbondedForce * Fixed sign error in computing forces
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- 23 Jul, 2018 1 commit
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peastman authored
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- 16 Mar, 2018 1 commit
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peastman authored
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- 23 Jan, 2018 1 commit
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Peter Eastman authored
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- 06 Sep, 2017 1 commit
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peastman authored
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- 25 Aug, 2017 1 commit
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peastman authored
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- 09 Aug, 2017 1 commit
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peastman authored
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- 08 Aug, 2017 1 commit
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peastman authored
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- 14 Jul, 2017 1 commit
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peastman authored
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- 19 Jun, 2017 1 commit
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Peter Eastman authored
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- 16 Jun, 2017 1 commit
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Peter Eastman authored
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- 22 Feb, 2017 1 commit
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peastman authored
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