- 30 Jul, 2021 1 commit
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Josh A. Mitchell authored
* Accept relative links between documentation sites * add glob to linkinator * Recurse from index.html * Path is relative to server-root * Get all the dots and slashes just right * Report only the broken links * Treat linkinator's --skip argument as regex and skip the ks.uiuc.edu domain * Increase linkinator timeout rather than skip ks.uiuc.edu * typo * another typo * Delete .confirm_shortcut_change
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- 28 Jul, 2021 1 commit
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Peter Eastman authored
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- 27 Jul, 2021 1 commit
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Peter Eastman authored
* Update instructions on compiling from source * Minor changes based on feedback
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- 23 Jul, 2021 1 commit
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Peter Eastman authored
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- 22 Jul, 2021 1 commit
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Dann239 authored
* Deleted the default copy-constuctor for ContextImpl. * Deleted the default copy assignment operator for ContextImpl.
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- 17 Jul, 2021 1 commit
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Peter Eastman authored
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- 16 Jul, 2021 2 commits
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Peter Eastman authored
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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 and reversions Reverts some changes I had made and later thought better of, and fixes some recurring typos across the documentation. * Number developers guide chapters * Fix responsiveness * Remove header.rst and center captions * Add a level of depth to main TOC and styling to accomodate * Add third level to Part-level TOCs * Use :numref: instead of :ref: to number links to sections * Continuously number chapters in user guide * navbar links to other docs relative, not absolute * Improve navbar spacing with new template * Fix sidebar while allowing it to scroll * Hard -> Soft links for navigation.html template * Add navigation.html template to cmakelists * Add another level of .. to relative links * Fix flex on C++ and remove layer of ..
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- 15 Jul, 2021 1 commit
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Peter Eastman authored
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- 05 Jul, 2021 1 commit
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Peter Eastman authored
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- 30 Jun, 2021 1 commit
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Peter Eastman authored
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- 23 Jun, 2021 1 commit
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David Clark authored
* Switches to using FindCUDAToolkit * Increases minimum CMake version to 3.17 for FindCUDAToolkit Co-authored-by:David Clark <daclark@nvidia.com>
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- 21 Jun, 2021 1 commit
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kyw220 authored
* Support of Amber FF19SB CMAP * Update: Support of Amber FF19SB CMAP Co-authored-by:Kye Won Wang <kyw220@sol.cc.lehigh.edu>
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- 20 Jun, 2021 1 commit
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Peter Eastman authored
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- 15 Jun, 2021 2 commits
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Peter Eastman authored
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Peter Eastman authored
* Changes to work with recent versions of Sphinx * Updated Sphinx version used for CI
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- 14 Jun, 2021 1 commit
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Samarjeet authored
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- 29 May, 2021 1 commit
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Peter Eastman authored
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- 22 May, 2021 1 commit
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Peter Eastman authored
* Began converting AMOEBA to common platform * Beginning of OpenCL platform for AMOEBA * Converted AmoebaVdwForce to common platform * Cleaned up reference AMOEBA tests * Began converting AmoebaMultipoleForce to common platform * Continue converting AmoebaMultipoleForce to common platform * Bug fixes * Bug fix * Continue converting AmoebaMultipoleForce to common platform * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce * Converted arrays from real3 to real * Bug fix to OpenCL AmoebaGeneralizedKirkwoodForce * Fixes for AMD GPUs * Began converting HippoNonbondedForce to common platform * Continuing to convert HippoNonbondedForce to common platform * Continuing to convert HippoNonbondedForce to common platform * Working on unifying PME kernels * Fixed error on devices without 64 bit atomics * Unified PME kernels * Converted HippoNonbondedForce to common platform * Creating OpenCL implementation of HippoNonbondedForce * Continuing OpenCL implementation of HippoNonbondedForce * Mostly finished OpenCL implementation of HippoNonbondedForce * Eliminated three component vector types in host code * Fix errors on CPU OpenCL * Skip double precision tests for AMOEBA on OpenCL * Bug fixes * Bug fixes * Fixed compilation error
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- 21 May, 2021 1 commit
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Peter Eastman authored
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- 03 May, 2021 1 commit
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Jaime Rodríguez-Guerra authored
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- 14 Apr, 2021 1 commit
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Jaime Rodríguez-Guerra authored
* add docs for conda forge releases * adapt to openmm git_url
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- 12 Apr, 2021 1 commit
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Peter Eastman authored
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- 30 Mar, 2021 4 commits
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John Chodera authored
Update openforcefield namespace to new conda-forge namespace in User guide
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John Chodera authored
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John Chodera authored
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John Chodera authored
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- 22 Mar, 2021 1 commit
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Peter Eastman authored
* Converted RPMD plugin to common platform * Merged RPMD tests for different platforms * Try to fix errors on CPU OpenCL
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- 19 Mar, 2021 1 commit
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Peter Eastman authored
* Converted more code to common platform * Converted more code to common platform
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- 17 Mar, 2021 1 commit
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Andy Simmonett authored
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- 16 Mar, 2021 3 commits
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Peter Eastman authored
* Cleanup to CUDA AmoebaMultipoleForce * Deleted obsolete SOR code
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Peter Eastman authored
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David Clark authored
Co-authored-by:David Clark <daclark@nvidia.com>
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- 12 Mar, 2021 4 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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Raimondas Galvelis authored
* Use the force group which is assigned to the metadynamics force * Handle a case when all the force groups are already used * Fix a typo
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- 11 Mar, 2021 1 commit
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Peter Eastman authored
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- 10 Mar, 2021 1 commit
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Peter Eastman authored
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- 09 Mar, 2021 1 commit
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Jacob Monroe authored
Moved _syncWithDisk in init before adding table of biases to CustomCVForce so that loaded biases are included in the biasing potential. (#3052)
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