Commits · 806731c1fc77e9d87606d0143f8f94bd5cc76516 · tsoc / openmm

21 May, 2017 1 commit
- Pin sphinx to 1.5.6 because 1.6.x breaks things · 806731c1
  John Chodera authored May 21, 2017
  
  806731c1
19 May, 2017 1 commit
- Merge pull request #1816 from peastman/integratorfunctions · 8c693ef7
  peastman authored May 19, 2017
```
CustomIntegrator can use tabulated functions
```
  8c693ef7
18 May, 2017 6 commits
- Merge pull request #1817 from peastman/volta · 7e2d6195
  peastman authored May 18, 2017
```
Preliminary support for Volta GPUs
```
  7e2d6195
- Serialization of tabulated functions for CustomIntegrator · 212e8367
  peastman authored May 18, 2017
  
  212e8367
- Preliminary support for Volta GPUs · b83d49ac
  Peter Eastman authored May 18, 2017
  
  b83d49ac
- CUDA implementation of tabulated functions for CustomIntegrator · 85c0f767
  Peter Eastman authored May 18, 2017
  
  85c0f767
- OpenCL implementation of tabulated functions for CustomIntegrator · e82ace44
  peastman authored May 18, 2017
  
  e82ace44
- Began implementing tabulated functions for CustomIntegrator · 094e6c71
  peastman authored May 18, 2017
  
  094e6c71
12 May, 2017 2 commits
- Merge pull request #1812 from jchodera/update-devtools · 54ac9892
  peastman authored May 12, 2017
```
Minor updates to packaging scripts
```
  54ac9892
- Update README and packaging scripts. · 183598ed
  John Chodera authored May 12, 2017
  
  183598ed
10 May, 2017 1 commit
- Merge pull request #1810 from peastman/manyparticle · c739aaff
  peastman authored May 10, 2017
```
Fixed bug in CustomManyParticleForce.
```
  c739aaff
09 May, 2017 1 commit
- Fixed bug in CustomManyParticleForce. · e84f5b71
  Peter Eastman authored May 09, 2017
  
  e84f5b71
05 May, 2017 6 commits
- Merge pull request #1806 from peastman/tabulated · 1f546d53
  peastman authored May 05, 2017
```
Fixed error in create3DNaturalSpline()
```
  1f546d53
- Merge pull request #1805 from swails/feature/gbsa-parameter · 48c23930
  peastman authored May 05, 2017
```
Make the nonpolar part of GBSA available via an argument to createSystem for both Amber and CHARMM files.
```
  48c23930
- Fixed error in create3DNaturalSpline() · 222688d5
  peastman authored May 05, 2017
  
  222688d5
- Merge pull request #1560 from rafwiewiora/master · b0c7239b
  peastman authored May 05, 2017
```
New code for impropers assignments
```
  b0c7239b
- Oops, finish the Amber part · 0b460942
  Jason Swails authored May 04, 2017
  
  0b460942
- Make the nonpolar part of GBSA available via an input parameter to · d7e7c69e
  Jason Swails authored May 04, 2017
```
createSystem for both Amber and CHARMM files.
```
  d7e7c69e
04 May, 2017 6 commits
- fix wildcard · 3850a251
  Rafal P. Wiewiora authored May 04, 2017
  
  3850a251
- update ordering parameter handling · a999f33b
  Rafal P. Wiewiora authored May 04, 2017
  
  a999f33b
- take everything out to a function, RBTorsion and CustomTorsion now use... · 0b5562ac
  Rafal P. Wiewiora authored May 04, 2017
```
take everything out to a function, RBTorsion and CustomTorsion now use ordering=charmm as their default
```
  0b5562ac
- Merge pull request #1802 from peastman/deterministic · 915b84f6
  peastman authored May 04, 2017
```
Added option for CPU PME to be deterministic
```
  915b84f6
- Merge pull request #1804 from leeping/master · a05c1a9b
  peastman authored May 04, 2017
```
Update AMBER-FB15 citation with journal information
```
  a05c1a9b
- Update AMBER-FB15 citation with journal information · d5b693e1
  Lee-Ping Wang authored May 04, 2017
  
  d5b693e1
03 May, 2017 1 commit
- Added option for CPU PME to be deterministic · b5d4b517
  peastman authored May 03, 2017
  
  b5d4b517
28 Apr, 2017 3 commits
- add missing types to _matchAmberImproper · 79261f4c
  Rafal P. Wiewiora authored Apr 28, 2017
  
  79261f4c
- add return statement... · 50c07938
  Rafal P. Wiewiora authored Apr 28, 2017
  
  50c07938
- extract ordering=amber part to a function · a1cadf1c
  Rafal P. Wiewiora authored Apr 28, 2017
  
  a1cadf1c
27 Apr, 2017 4 commits
- Merge pull request #1797 from jchodera/update-version · 19cefdea
  peastman authored Apr 27, 2017
```
Update OpenMM development version number from 7.1.0 to 7.2.0
```
  19cefdea
- fix indent 2 · 3c819df2
  Rafal P. Wiewiora authored Apr 27, 2017
  
  3c819df2
- fix indent · cad50c89
  Rafal P. Wiewiora authored Apr 27, 2017
  
  cad50c89
- Update 7.1.0 -> 7.2.0 · 643f53b3
  jchodera authored Apr 27, 2017
  
  643f53b3
26 Apr, 2017 2 commits
- remove extra line · 89c824c7
  Rafal P. Wiewiora authored Apr 26, 2017
  
  89c824c7
- add new code to RBTorsion and CustomTorsion · 883cb72c
  Rafal P. Wiewiora authored Apr 26, 2017
  
  883cb72c
25 Apr, 2017 3 commits
- Merge pull request #1761 from jchodera/fix-charmm-impropers · b37e2571
  peastman authored Apr 25, 2017
```
Fix bug where CHARMM impropers did not respect toroidal boundary conditions
```
  b37e2571
- Merge pull request #1 from peastman/charmmimproper · 1032094f
  John Chodera authored Apr 25, 2017
```
Created test case for CHARMM impropers fix
```
  1032094f
- Created test case for CHARMM impropers fix · 117ccbbf
  peastman authored Apr 25, 2017
  
  117ccbbf
24 Apr, 2017 2 commits
- Merge pull request #1792 from peastman/hbond · 8c7734e6
  peastman authored Apr 24, 2017
```
Bug fixes to CustomHbondForce
```
  8c7734e6
- Bug fixes to CustomHbondForce · a64a5b21
  Peter Eastman authored Apr 24, 2017
  
  a64a5b21
20 Apr, 2017 1 commit
- move PDB to systems · 4f11c10f
  Rafal P. Wiewiora authored Apr 20, 2017
  
  4f11c10f