- 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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- 31 Oct, 2022 1 commit
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peastman authored
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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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