"platforms/cpu/tests/TestCpuCustomGBForce.cpp" did not exist on "b5edab67df3627e00496d26acf8a8499d46140c2"
- 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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- 18 Oct, 2021 1 commit
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Peter Eastman authored
* Added lots of checks for invalid parameter values * Fixed test failures * More checks for incorrect parameters * Fixed test failures
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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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- 12 Oct, 2021 1 commit
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Peter Eastman authored
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- 30 Sep, 2021 1 commit
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Peter Eastman authored
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- 20 Sep, 2021 1 commit
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Peter Eastman authored
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- 16 Sep, 2021 1 commit
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Peter Eastman authored
* Allow querying current step count * Fixed error building Python wrapper
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- 15 Jul, 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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- 28 Feb, 2021 1 commit
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Peter Eastman authored
* Began implementing geometric functions on points * Started common implementation of point functions * Completed implementation of point functions for CustomCompoundBondForce * Implemented point functions for CustomCentroidBondForce * Implemented point functions for CustomManyParticleForce * Use point functions to simplify implementation of custom forces * Removed unnecessary code * Fixed typo
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- 16 Nov, 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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- 25 Jun, 2020 1 commit
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Charlles Abreu authored
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- 24 Jun, 2020 5 commits
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu 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
* Cleaned up checkpointing code for NoseHooverIntegrator * Fixed compilation error
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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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- 24 Apr, 2020 2 commits
- 21 Apr, 2020 1 commit
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peastman authored
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- 03 Apr, 2020 1 commit
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Charlles Abreu authored
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- 02 Apr, 2020 1 commit
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Charlles Abreu authored
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- 31 Mar, 2020 1 commit
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Charlles Abreu authored
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- 28 Mar, 2020 3 commits
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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- 25 Mar, 2020 1 commit
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Charlles Abreu authored
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- 12 Mar, 2020 1 commit
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peastman authored
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- 28 Feb, 2020 1 commit
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Andy Simmonett authored
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- 27 Feb, 2020 1 commit
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Andy Simmonett authored
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- 21 Feb, 2020 1 commit
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peastman authored
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- 14 Feb, 2020 1 commit
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Peter Eastman authored
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- 04 Feb, 2020 1 commit
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Peter Eastman authored
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- 15 Jan, 2020 1 commit
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Peter Eastman authored
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- 19 Dec, 2019 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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