Commits · aaf535b8bf506061890930214bdd9a6aa0920c9b · tsoc / openmm

"platforms/vscode:/vscode.git/clone" did not exist on "68ef42c07833aa5a695ab62f79a79177e163bf46"

24 Aug, 2016 1 commit
- add ordering attribute to impropers · aaf535b8
  Rafal P. Wiewiora authored Aug 24, 2016
  
  aaf535b8
18 Aug, 2016 3 commits
- fix · 18253db9
  Rafal P. Wiewiora authored Aug 18, 2016
  
  18253db9
- add updates of r and ta · 6412e52f
  Rafal P. Wiewiora authored Aug 18, 2016
  
  6412e52f
- fixes · abc801dd
  Rafal P. Wiewiora authored Aug 18, 2016
  
  abc801dd
14 Aug, 2016 1 commit
- add new proposed code for impropers · 406105ef
  Rafal P. Wiewiora authored Aug 14, 2016
  
  406105ef
12 Aug, 2016 1 commit
- Merge pull request #1558 from peastman/variables · 27550631
  peastman authored Aug 12, 2016
```
Optimizations to custom forces/integrators on CPU platform
```
  27550631
11 Aug, 2016 1 commit
- Optimization to CustomNonbondedForce and CustomIntegrator on CPU · bf0b43c5
  peastman authored Aug 11, 2016
  
  bf0b43c5
10 Aug, 2016 4 commits
- Optimization to CustomGBForce on CPU · 1c416f54
  peastman authored Aug 10, 2016
  
  1c416f54
- Merge pull request #1555 from peastman/gbbugs · 5a8a8aa9
  peastman authored Aug 10, 2016
```
Fixed bugs related to CustomGBForce
```
  5a8a8aa9
- Fixed bugs related to CustomGBForce · 77c00e41
  peastman authored Aug 10, 2016
  
  77c00e41
- Merge pull request #1553 from peastman/gayberne · a468fa3a
  peastman authored Aug 09, 2016
```
Implemented Gay-Berne ellipsoids
```
  a468fa3a
09 Aug, 2016 6 commits
- Merge branch 'gayberne' of https://github.com/peastman/openmm into gayberne · ebf0ca29
  peastman authored Aug 09, 2016
  
  ebf0ca29
- Implemented serialization of GayBerneForce · 5f1c5e19
  peastman authored Aug 09, 2016
  
  5f1c5e19
- Fixed compilation errors on Windows · b683cd81
  peastman authored Aug 09, 2016
  
  b683cd81
- Fixed compilation error in mixed precision mode · ddd7307d
  Peter Eastman authored Aug 09, 2016
  
  ddd7307d
- Merge branch 'gayberne' of https://github.com/peastman/openmm into gayberne · 24b68822
  peastman authored Aug 09, 2016
  
  24b68822
- Added documentation on GayBerneForce to manual · d676ed8e
  peastman authored Aug 09, 2016
  
  d676ed8e
08 Aug, 2016 2 commits
- Merge pull request #1552 from peastman/segfault · c1843f54
  peastman authored Aug 08, 2016
```
Fixed segfault related to parameter derivatives
```
  c1843f54
- Fixed segfault related to parameter derivatives · 3c65f15b
  peastman authored Aug 08, 2016
  
  3c65f15b
05 Aug, 2016 5 commits
- Merge pull request #1549 from peastman/nvcc · 09a05c0a
  peastman authored Aug 05, 2016
```
Prefer nvcc over runtime compiler
```
  09a05c0a
- Merge pull request #1550 from peastman/cpuerror · 55ffb75f
  peastman authored Aug 05, 2016
```
Fixed compilation error with OpenCL on CPU
```
  55ffb75f
- Fixed compilation error with OpenCL on CPU · 2f024f11
  peastman authored Aug 05, 2016
  
  2f024f11
- Prefer nvcc over runtime compiler · 978e3a08
  Peter Eastman authored Aug 05, 2016
  
  978e3a08
- Merge pull request #1548 from peastman/gromacs · 5782cb5c
  peastman authored Aug 05, 2016
```
Bug fixes to reading Gromacs files
```
  5782cb5c
04 Aug, 2016 1 commit
- Bug fixes to reading Gromacs files · da8a47dd
  peastman authored Aug 04, 2016
  
  da8a47dd
02 Aug, 2016 1 commit
- Finished CUDA version of GayBerneForce · 01440b46
  Peter Eastman authored Aug 02, 2016
  
  01440b46
01 Aug, 2016 2 commits
- Began CUDA version of GayBerneForce · 222b3bb4
  peastman authored Aug 01, 2016
  
  222b3bb4
- Merge branch 'master' into gayberne · a381a3ab
  peastman authored Aug 01, 2016
  
  a381a3ab
30 Jul, 2016 1 commit
- Merge pull request #1547 from peastman/paramderivs · 1f7866ad
  peastman authored Jul 29, 2016
```
Energy derivatives with respect to global parameters
```
  1f7866ad
29 Jul, 2016 4 commits
- Fixed segfault · 7851bad8
  Peter Eastman authored Jul 29, 2016
  
  7851bad8
- Bug fixes to OpenCL on CPU · 823b9a75
  peastman authored Jul 29, 2016
  
  823b9a75
- Added documentation on parameter derivatives · 68f1f485
  Peter Eastman authored Jul 29, 2016
  
  68f1f485
- CUDA and OpenCL implementation of parameter derivatives for CustomCentroidBondForce · b90354c9
  Peter Eastman authored Jul 29, 2016
  
  b90354c9
27 Jul, 2016 4 commits
- Continuing CUDA implementation of parameter derivatives · ccb2000d
  Peter Eastman authored Jul 27, 2016
  
  ccb2000d
- Continuing CUDA implementation of parameter derivatives · 4949017b
  Peter Eastman authored Jul 27, 2016
  
  4949017b
- Began CUDA implementation of parameter derivatives · eae8def5
  Peter Eastman authored Jul 27, 2016
  
  eae8def5
- Bug fixes to parameter derivatives for OpenCL CustomGBForce · e47cf907
  peastman authored Jul 27, 2016
  
  e47cf907
26 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomIntegrator · dbdf1c68
  peastman authored Jul 26, 2016
  
  dbdf1c68
25 Jul, 2016 1 commit
- Reference implementation of parameter derivatives for CustomIntegrator · 2a52e208
  peastman authored Jul 25, 2016
  
  2a52e208
22 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomGBForce · 74efa95f
  peastman authored Jul 22, 2016
  
  74efa95f