Commits · e1181999ea6f359efea290d5504db80e619d0983 · tsoc / openmm

13 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · e1181999
  Peter Eastman authored May 13, 2016
  
  e1181999
11 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · fcbee6a5
  Peter Eastman authored May 11, 2016
  
  fcbee6a5
05 May, 2016 4 commits
- Merge pull request #1480 from peastman/neighborlist · a4d327f5
  peastman authored May 05, 2016
```
CPU platform shares neighbor list between forces
```
  a4d327f5
- CPU platform shares neighbor list between forces · 57812e24
  peastman authored May 05, 2016
  
  57812e24
- Merge pull request #1479 from peastman/boxvectors · 61d15a2a
  peastman authored May 05, 2016
```
Changing box vectors does not change positions
```
  61d15a2a
- Changing box vectors does not change positions · 32ea2e9d
  Peter Eastman authored May 05, 2016
  
  32ea2e9d
25 Apr, 2016 5 commits
- Merge pull request #1469 from peastman/properties · 9e66f0b1
  peastman authored Apr 25, 2016
```
Unified names of platform properties
```
  9e66f0b1
- Merge pull request #1471 from peastman/compiledintegrator · 25d21454
  peastman authored Apr 25, 2016
```
Optimized CPU implementation of CustomIntegrator
```
  25d21454
- Fixed segfault · 803e826b
  peastman authored Apr 25, 2016
  
  803e826b
- Optimized CPU implementation of CustomIntegrator · bf32de7a
  peastman authored Apr 25, 2016
  
  bf32de7a
- Merge pull request #1470 from peastman/minimize · 7e877240
  peastman authored Apr 25, 2016
```
Improved minimization with strict constraint tolerance
```
  7e877240
22 Apr, 2016 2 commits
- Improved minimization with strict constraint tolerance · cce10705
  peastman authored Apr 22, 2016
  
  cce10705
- Minor code cleanup · cc4caaba
  Peter Eastman authored Apr 22, 2016
  
  cc4caaba
21 Apr, 2016 6 commits
- Updated documentation for unified property names · 4966bdff
  Peter Eastman authored Apr 21, 2016
  
  4966bdff
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
- Merge pull request #1468 from peastman/mctemperature · 95584c96
  peastman authored Apr 21, 2016
```
Changed mechanism for setting barostat temperature
```
  95584c96
- Changed mechanism for setting barostat temperature · 50fe7be0
  Peter Eastman authored Apr 21, 2016
  
  50fe7be0
- Merge pull request #1467 from peastman/amoebaperiodic · 8190f243
  peastman authored Apr 21, 2016
```
Periodic boundary conditions for AMOEBA bonded forces
```
  8190f243
- Serialization of periodic boundary conditions for AMOEBA bonded forces · c54126a0
  Peter Eastman authored Apr 21, 2016
  
  c54126a0
20 Apr, 2016 2 commits
- CUDA implementation of periodic boundary conditions for AMOEBA bonded forces · 713cc0f9
  Peter Eastman authored Apr 20, 2016
  
  713cc0f9
- Reference implementation of periodic boundary conditions for AMOEBA bonded forces · 94fbbe9c
  Peter Eastman authored Apr 20, 2016
  
  94fbbe9c
19 Apr, 2016 2 commits
- Merge pull request #1466 from peastman/tablederiv · fd289aae
  peastman authored Apr 19, 2016
```
Fixed error in Continuous3DFunction on CUDA and OpenCL
```
  fd289aae
- Fixed error in Continuous3DFunction on CUDA and OpenCL · f091f8b7
  Peter Eastman authored Apr 19, 2016
  
  f091f8b7
18 Apr, 2016 2 commits
- Merge pull request #1465 from peastman/tabulated · b4dcef47
  peastman authored Apr 18, 2016
```
Optimized reference implementation of continuous tabulated functions
```
  b4dcef47
- Optimized reference implementation of continuous tabulated functions · fc0689ac
  peastman authored Apr 18, 2016
  
  fc0689ac
15 Apr, 2016 2 commits
- Merge pull request #1464 from peastman/serializebonded · abbf0b67
  peastman authored Apr 15, 2016
```
Serialization works for periodic boundary conditions on bonded forces
```
  abbf0b67
- Serialization works for periodic boundary conditions on bonded forces · 8f1f8af4
  peastman authored Apr 15, 2016
  
  8f1f8af4
13 Apr, 2016 5 commits
- Merge pull request #1462 from peastman/hydrogencutoff · 03a92f78
  peastman authored Apr 13, 2016
```
Optimized energy minimization when adding hydrogens
```
  03a92f78
- Merge pull request #1455 from tcyrus/patch-1 · 2cda6532
  peastman authored Apr 13, 2016
```
Update README.md
```
  2cda6532
- Optimized energy minimization when adding hydrogens · 61412811
  peastman authored Apr 13, 2016
  
  61412811
- Merge pull request #1461 from peastman/periodic · 0fa56f2e
  peastman authored Apr 13, 2016
```
Allow periodic boundary conditions for bonded forces
```
  0fa56f2e
- Define APPLY_PERIODIC to 0 just to be absolutely safe · b458028f
  Peter Eastman authored Apr 13, 2016
  
  b458028f
12 Apr, 2016 2 commits
- OpenCL and CUDA implementation of periodic boundary conditions for bonded forces · 00c22e34
  Peter Eastman authored Apr 12, 2016
  
  00c22e34
- Reference implementation of periodic boundary conditions for bonded forces · 908340c1
  Peter Eastman authored Apr 12, 2016
  
  908340c1
10 Apr, 2016 1 commit
- Update README.md · cfb26ad2
  Timothy Cyrus authored Apr 10, 2016
```
Change Badge from PNG to SVG
```
  cfb26ad2
04 Apr, 2016 5 commits
- Merge pull request #1449 from peastman/precision · 4bd2f9d2
  peastman authored Apr 04, 2016
```
In mixed or double mode, don't select devices that don't support double
```
  4bd2f9d2
- Merge pull request #1448 from peastman/deterministic · 369eca45
  peastman authored Apr 04, 2016
```
Added property to request deterministic forces
```
  369eca45
- Merge pull request #1373 from rafwiewiora/forcefield_xml · d19984d6
  peastman authored Apr 04, 2016
```
Residue template overloading / User can specify template if multiple match / Refactor XML loading / No multiple gens
```
  d19984d6
- Merge pull request #1446 from swails/psffix · 1ffb9e0a
  peastman authored Apr 04, 2016
```
Support negative residue numbers in PSF files.
```
  1ffb9e0a
- In mixed or double mode, don't select devices that don't support double · 43586789
  peastman authored Apr 04, 2016
  
  43586789