"platforms/hip/include/HipForceInfo.h" did not exist on "edbc8407b0361ce5152bad4bd91597080dee3b58"
- 28 Apr, 2025 1 commit
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Peter Eastman authored
* Added computeCurrentPressure() to MonteCarloBarostat * Use instantaneous temperature to compute pressure * Added computeCurrentPressure() to MonteCarloAnisotropicBarostat * Added computeCurrentPressure() to MonteCarloMembraneBarostat * Fixed compilation error * Fixed error in typemap * Added documentation on computing pressure * Fixed CUDA compilation errors * Made test case more robust * Made a test case more robust * Added computeCurrentPressure() to MonteCarloFlexibleBarostat * Fixed compilation error * More documentation on computing pressure
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- 18 Feb, 2022 1 commit
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Peter Eastman authored
* Added documentation to clarify behavior of nonbonded exceptions * Added documentation to clarify behavior of nonbonded exceptions
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- 14 Oct, 2021 1 commit
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Peter Eastman authored
* Created MonteCarloFlexibleBarostat * Improved test cases * Documentation for MonteCarloFlexibleBarostat * Added a missing include * Serialization for MonteCarloFlexibleBarostat * Added MonteCarloFlexibleBarostat to C++ API docs index * Added citation for MonteCarloFlexibleBarostat
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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 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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