- 10 Sep, 2019 1 commit
-
-
peastman authored
-
- 09 Aug, 2019 1 commit
-
-
Peter Eastman authored
-
- 01 Aug, 2019 1 commit
-
-
peastman authored
-
- 24 Jun, 2019 1 commit
-
-
Peter Eastman authored
-
- 14 Jun, 2019 1 commit
-
-
Peter Eastman authored
-
- 11 Jun, 2019 3 commits
-
-
peastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-
- 07 Jun, 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
-
- 21 Mar, 2019 2 commits
-
-
Peter Eastman authored
-
peastman authored
-
- 20 Mar, 2019 1 commit
-
-
Peter Eastman authored
-
- 05 Mar, 2019 1 commit
-
-
peastman authored
-
- 22 Feb, 2019 1 commit
-
-
Peter Eastman authored
-
- 11 Feb, 2019 1 commit
-
-
Peter Eastman authored
-
- 09 Feb, 2019 1 commit
-
-
Peter Eastman authored
-
- 23 Jan, 2019 1 commit
-
-
Peter Eastman authored
-
- 22 Jan, 2019 2 commits
-
-
Yutong Zhao authored
-
Yutong Zhao authored
-
- 08 Jan, 2019 1 commit
-
-
peastman authored
-
- 18 Dec, 2018 1 commit
-
-
Peter Eastman authored
-
- 30 Nov, 2018 1 commit
-
-
peastman authored
-
- 11 Nov, 2018 1 commit
-
-
Peter Eastman authored
-
- 07 Nov, 2018 1 commit
-
-
peastman authored
-
- 30 Oct, 2018 1 commit
-
-
Peter Eastman authored
-
- 26 Oct, 2018 1 commit
-
-
Peter Eastman authored
-
- 24 Oct, 2018 1 commit
-
-
Peter Eastman authored
-
- 10 Oct, 2018 1 commit
-
-
Peter Eastman authored
-
- 06 Oct, 2018 1 commit
-
-
Andy Simmonett authored
-
- 04 Oct, 2018 1 commit
-
-
Andy Simmonett authored
-
- 28 Sep, 2018 2 commits
- 23 Sep, 2018 1 commit
-
-
peastman authored
-
- 21 Sep, 2018 2 commits
-
-
Andy Simmonett authored
-
Andy Simmonett authored
-
- 07 Sep, 2018 1 commit
-
-
Peter Eastman authored
-
- 10 Aug, 2018 1 commit
-
-
Peter Eastman authored
-
- 25 Jul, 2018 1 commit
-
-
peastman authored
-
- 23 Jul, 2018 1 commit
-
-
peastman authored
-
