- 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 12 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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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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- 21 Oct, 2019 1 commit
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peastman authored
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- 18 Oct, 2019 1 commit
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Peter Eastman authored
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- 08 Oct, 2019 1 commit
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Peter Eastman authored
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- 07 Oct, 2019 1 commit
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peastman authored
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- 11 Sep, 2019 1 commit
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peastman authored
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- 10 Sep, 2019 1 commit
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peastman authored
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- 09 Apr, 2019 1 commit
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peastman authored
* Created API for HIPPO force field * Beginning of reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Continuing reference implementation of HIPPO * Completed reference of HIPPO with no cutoff * Beginning cutoffs/PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Continuing PME for reference implementation of HIPPO * Completed reference implementation of HIPPO * Cleanup and optimization to HIPPO reference * Further cleanup to HIPPO * Combined direct space interactions into a single loop * Compute direct space interactions in quasi-internal frame * Beginning of CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Continuing CUDA implementation of HIPPO * Finished CUDA implementation of HIPPO * More features and test cases for HippoNonbondedForce * Serialization and Python API for HippoNonbondedForce * Fixed sign error in computing forces
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- 05 Mar, 2019 1 commit
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peastman authored
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- 22 Jan, 2019 2 commits
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Yutong Zhao authored
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Yutong Zhao authored
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- 10 Oct, 2018 1 commit
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Peter Eastman authored
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- 23 Sep, 2018 1 commit
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peastman authored
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- 23 Jul, 2018 1 commit
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peastman authored
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