- 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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- 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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- 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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- 09 Feb, 2021 1 commit
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Peter Eastman authored
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- 23 Dec, 2020 1 commit
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peastman authored
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- 25 Nov, 2020 1 commit
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peastman authored
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- 18 Aug, 2020 1 commit
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peastman authored
* Updated to latest values for physical constants * Updated documentation on physical constants * Updated Python unit definitions * Fixed constants in test case * Added a comment
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- 28 Jul, 2020 1 commit
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peastman authored
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- 24 Jun, 2020 1 commit
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Charlles Abreu authored
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- 01 Jun, 2020 1 commit
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peastman 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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- 05 May, 2020 1 commit
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peastman authored
* Fixed OpenCL compiler errors * Fixed incorrect references to BAOAB * Fixed a method that was incorrectly made public
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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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- 14 Apr, 2020 1 commit
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peastman authored
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- 05 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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- 23 Mar, 2020 1 commit
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Alex Henrie authored
* Remove unused variable from CpuCustomGBForce::calculateIxn * Remove unused variable from CpuCalcCustomManyParticleForceKernel::initialize * Remove unused variable from CudaCalcCustomCVForceKernel::initialize * Remove unused variable from ReferenceCalcCustomManyParticleForceKernel::initialize * Remove unused variables from ReferenceObc::computeBornEnergyForces * Remove unused variable from AmoebaTorsionTorsionForceProxy::serialize
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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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- 11 Dec, 2019 1 commit
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Andy Simmonett authored
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- 19 Nov, 2019 1 commit
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peastman 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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- 07 Nov, 2019 1 commit
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Andy Simmonett authored
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- 25 Oct, 2019 1 commit
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Peter Eastman authored
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- 24 Oct, 2019 7 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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Andy Simmonett authored
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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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