Commits · 805bba9344aa4df1d4240192be43eaaafe4e3c16 · tsoc / openmm

"serialization/src/OrientationRestraintForceProxy.cpp" did not exist on "44524bd1e70015e18c5ed8f8433f16029331606b"

17 Oct, 2016 1 commit
- Solve DIIS matrix on GPU · 805bba93
  Peter Eastman authored Oct 17, 2016
  
  805bba93
14 Oct, 2016 1 commit
- Merge pull request #1632 from peastman/pairs · 388bf972
  peastman authored Oct 14, 2016
```
Fine grained pair list of nonbonded interactions
```
  388bf972
13 Oct, 2016 8 commits
- Merge pull request #1630 from peastman/bug · 064a781f
  peastman authored Oct 13, 2016
```
Fixed bug computing energies without forces
```
  064a781f
- Merge pull request #1631 from jchodera/fix-travis · 89f8a27e
  peastman authored Oct 13, 2016
```
Fix AMD APP SDK path
```
  89f8a27e
- Fix AMD APP SDK path · e9978966
  jchodera authored Oct 13, 2016
  
  e9978966
- Fixed bug computing energies without forces · 1ded9a60
  Peter Eastman authored Oct 13, 2016
  
  1ded9a60
- Further improvements to pair list · 7c911459
  Peter Eastman authored Oct 13, 2016
  
  7c911459
- Merge pull request #1629 from peastman/warning · 65be5156
  peastman authored Oct 13, 2016
```
Remove warning about runtime compiler on CUDA 8.0
```
  65be5156
- Remove warning about runtime compiler on CUDA 8.0 · fd91f608
  Peter Eastman authored Oct 13, 2016
  
  fd91f608
- Merge pull request #1628 from peastman/variable · 32d2707c
  peastman authored Oct 13, 2016
```
Fixed bug in reference implementation of VariableLangevinIntegrator
```
  32d2707c
11 Oct, 2016 2 commits
- Merge pull request #1623 from peastman/pythonderivs · 49cb1b43
  peastman authored Oct 11, 2016
```
Python API for parameter derivatives
```
  49cb1b43
- Fixed bug in reference implementation of VariableLangevinIntegrator · 38f8ffb5
  Peter Eastman authored Oct 11, 2016
  
  38f8ffb5
10 Oct, 2016 2 commits
- Python API for parameter derivatives · 2c467990
  Peter Eastman authored Oct 10, 2016
  
  2c467990
- Merge pull request #1621 from jchodera/fix-readme · 7e114fb5
  peastman authored Oct 10, 2016
```
README updates
```
  7e114fb5
09 Oct, 2016 5 commits
- Remove out-of-date OpenMM 6.3 C++ and Python docs links · 6516827a
  John Chodera (MSKCC) authored Oct 09, 2016
  
  6516827a
- Move badges to top · ba62fa60
  John Chodera (MSKCC) authored Oct 09, 2016
  
  ba62fa60
- Remove other openmm-dev travis badge · b2e14e0b
  John Chodera (MSKCC) authored Oct 09, 2016
  
  b2e14e0b
- Fix badge path · 60d9bca5
  John Chodera (MSKCC) authored Oct 09, 2016
  
  60d9bca5
- Remove openmm-dev conda badge and update openmm anaconda badge · a395be30
  John Chodera (MSKCC) authored Oct 09, 2016
  
  a395be30
06 Oct, 2016 4 commits
- Merge pull request #1615 from peastman/docsversion · 69d5e8b8
  peastman authored Oct 06, 2016
```
Updated manual to specify CUDA 8.0
```
  69d5e8b8
- Updated manual to specify CUDA 8.0 · 3654b788
  Peter Eastman authored Oct 06, 2016
  
  3654b788
- Merge pull request #1614 from peastman/version · a32a117a
  peastman authored Oct 06, 2016
```
Updated version number to 7.1
```
  a32a117a
- Updated version number to 7.1 · 4b97a9cb
  Peter Eastman authored Oct 06, 2016
  
  4b97a9cb
05 Oct, 2016 4 commits
- Merge pull request #1605 from peastman/hbondbug · d07c0c02
  peastman authored Oct 05, 2016
```
Bug fixes to building CustomHbondForce
```
  d07c0c02
- Merge pull request #1608 from kyleabeauchamp/intser · 67fc6658
  peastman authored Oct 05, 2016
```
Add support for customIntegrator serialization and test
```
  67fc6658
- Fix indent · 171f3a26
  Kyle Beauchamp authored Oct 04, 2016
  
  171f3a26
- Add workaround for xml alphabetization issue, print exceptions in TestSerializeIntegrator · 299e5896
  Kyle Beauchamp authored Oct 04, 2016
  
  299e5896
04 Oct, 2016 2 commits
- Edit global compute · 0dd0795d
  Kyle Beauchamp authored Oct 03, 2016
  
  0dd0795d
- Add support for customIntegrator serialization and test · 3c2a3b1f
  Kyle Beauchamp authored Oct 03, 2016
  
  3c2a3b1f
30 Sep, 2016 1 commit
- Bug fixes to building CustomHbondForce · 53b6ea1b
  peastman authored Sep 30, 2016
  
  53b6ea1b
27 Sep, 2016 3 commits
- Merge pull request #1603 from peastman/unknownglobal · c2166480
  peastman authored Sep 27, 2016
```
CustomIntegrator checks for writing to an unknown variable
```
  c2166480
- CustomIntegrator checks for writing to an unknown variable · b44ff2fd
  Peter Eastman authored Sep 27, 2016
  
  b44ff2fd
- Merge pull request #1601 from peastman/compoundstatechanged · 6cf592be
  peastman authored Sep 27, 2016
```
CompoundIntegrator::stateChanged() calls through to component integrators
```
  6cf592be
26 Sep, 2016 5 commits
- CompoundIntegrator::stateChanged() calls through to component integrators · 222460ef
  peastman authored Sep 26, 2016
  
  222460ef
- Merge pull request #1600 from peastman/customdt · 283e97b2
  peastman authored Sep 26, 2016
```
Fixed error when CustomIntegrator modifies step size
```
  283e97b2
- Merge pull request #1593 from peastman/hbond · 690f5c23
  peastman authored Sep 26, 2016
```
ForceField supports CustomHbondForce
```
  690f5c23
- Fixed mistake in test case · 1de311c9
  Peter Eastman authored Sep 26, 2016
  
  1de311c9
- Fixed error when CustomIntegrator modifies step size · 9908d249
  Peter Eastman authored Sep 26, 2016
  
  9908d249
23 Sep, 2016 2 commits
- Merge pull request #1596 from peastman/barostatperiodic · 985d927a
  peastman authored Sep 23, 2016
```
Throw an exception if a barostat is used with a non-periodic system
```
  985d927a
- Throw an exception if a barostat is used with a non-periodic system · dd140429
  peastman authored Sep 23, 2016
  
  dd140429