- 22 Aug, 2019 1 commit
-
-
Chengwen Liu authored
-
- 12 Apr, 2019 1 commit
-
-
Peter Eastman authored
-
- 09 Apr, 2019 1 commit
-
-
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
-
- 24 Jul, 2018 1 commit
-
-
Peter Eastman authored
-
- 14 Feb, 2018 1 commit
-
-
Peter Eastman authored
-
- 24 Mar, 2017 1 commit
-
-
peastman authored
-
- 19 Jan, 2017 1 commit
-
-
Andy Simmonett authored
-
- 17 Oct, 2016 1 commit
-
-
Peter Eastman authored
-
- 07 Sep, 2016 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 05 Jul, 2016 1 commit
-
-
Saurabh Belsare authored
-
- 30 Jun, 2016 2 commits
-
-
Saurabh Belsare authored
-
peastman authored
-
- 20 Apr, 2016 1 commit
-
-
Peter Eastman authored
-
- 13 Apr, 2016 1 commit
-
-
Peter Eastman authored
-
- 04 Feb, 2016 2 commits
-
-
Saurabh Belsare authored
-
Saurabh Belsare authored
-
- 03 Feb, 2016 1 commit
-
-
Saurabh Belsare authored
-
- 30 Jan, 2016 1 commit
-
-
Saurabh Belsare authored
-
- 25 Jan, 2016 2 commits
-
-
Saurabh Belsare authored
Modified dummy cuda getLabFramePermanentDipoles from getSystemMultipoles to getInducedDipoles Implementation
-
Saurabh Belsare authored
Added LabFramePermanentDipole function to the cuda kernels files, but it currently works as getSystemMultipoleMoments
-
- 14 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 13 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 12 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 09 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 07 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 05 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 21 Sep, 2015 1 commit
-
-
Peter Eastman authored
-
- 03 Sep, 2015 1 commit
-
-
peastman authored
-
- 27 Aug, 2015 1 commit
-
-
peastman authored
-
- 20 Aug, 2015 2 commits
- 19 Aug, 2015 1 commit
-
-
peastman authored
-
- 17 Aug, 2015 1 commit
-
-
peastman authored
-
- 09 Jul, 2015 1 commit
-
-
Peter Eastman authored
-
- 23 Feb, 2015 1 commit
-
-
peastman authored
-
- 08 Feb, 2015 3 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
Jason Swails authored
of just 1. Backwards compatibility is provided by making the 2nd force constant default to -1, which is reinterpreted as "copy the first force constant". Updates both the reference and CUDA kernels.
-
- 05 Feb, 2015 1 commit
-
-
Peter Eastman authored
-
