Commits · de112a824e9064845637bcd05680e6cca828efed · tsoc / openmm

08 Aug, 2014 1 commit
- Edits to documentation based on Jason's comments · de112a82
  peastman authored Aug 08, 2014
  
  de112a82
06 Aug, 2014 1 commit
- Added discussion of loading CHARMM files · 7219ca90
  peastman authored Aug 06, 2014
  
  7219ca90
04 Aug, 2014 2 commits
- Jason's fixes to documentation · d688fca9
  peastman authored Aug 04, 2014
  
  d688fca9
- John's fixes to documentation · 4995e754
  peastman authored Aug 04, 2014
  
  4995e754
31 Jul, 2014 1 commit
- Fixed lots of errors in User Guide, especially in equations · 1f54f70c
  peastman authored Jul 31, 2014
  
  1f54f70c
30 Jul, 2014 2 commits
- Fixes to user guide · 4fccce3e
  peastman authored Jul 30, 2014
  
  4fccce3e
- Updated version number to 6.1 · 0e4555a8
  peastman authored Jul 29, 2014
  
  0e4555a8
24 Jul, 2014 1 commit
- Very minor optimization to DIIS · b5572898
  peastman authored Jul 24, 2014
  
  b5572898
23 Jul, 2014 6 commits
- Merge pull request #556 from peastman/master · 2cb9adf3
  peastman authored Jul 23, 2014
```
Fixed anisotropy for terminal residues
```
  2cb9adf3
- Fixed anisotropy for terminal residues · c0194484
  peastman authored Jul 23, 2014
  
  c0194484
- Merge pull request #554 from peastman/master · 97e37952
  peastman authored Jul 23, 2014
```
Fixed error in OpenCL MonteCarloBarostat in double precision
```
  97e37952
- Merge branch 'master' of https://github.com/SimTk/openmm · 67004571
  peastman authored Jul 23, 2014
  
  67004571
- Merge branch 'master' of https://github.com/peastman/openmm · 37457b25
  peastman authored Jul 23, 2014
  
  37457b25
- Fixed error in OpenCL MonteCarloBarostat in double precision · debe1662
  peastman authored Jul 23, 2014
  
  debe1662
22 Jul, 2014 9 commits
- Merge pull request #553 from peastman/docs · 25f1080a
  peastman authored Jul 22, 2014
```
Lots of cleanup to how documentation gets built
```
  25f1080a
- Marked Sphinx-generated PDF files as optional installs · da5824cf
  peastman authored Jul 22, 2014
  
  da5824cf
- Deleted obsolete documentation files · f56216fe
  peastman authored Jul 22, 2014
  
  f56216fe
- Renamed docs to docs-source · 088b4910
  peastman authored Jul 22, 2014
  
  088b4910
- Created CMake targets for building Sphinx documentation · e4ee9efd
  peastman authored Jul 22, 2014
  
  e4ee9efd
- Merge pull request #522 from kyleabeauchamp/vagrant · ad35a53e
  peastman authored Jul 21, 2014
```
[WIP] Virtual Machine for Centos 6.5 Build
```
  ad35a53e
- Remove hardcoded reference to my fork in build_conda_package_vagrant.sh · 6ddb633c
  kyleabeauchamp authored Jul 21, 2014
  
  6ddb633c
- Merge remote-tracking branch 'upstream/master' into vagrant · c7aa1d00
  kyleabeauchamp authored Jul 21, 2014
  
  c7aa1d00
- Renamed tools to devtools · aea4e454
  kyleabeauchamp authored Jul 21, 2014
  
  aea4e454
21 Jul, 2014 10 commits
- Merge pull request #551 from peastman/master · f7127d33
  peastman authored Jul 21, 2014
```
Renamed tools to devtools
```
  f7127d33
- Renamed tools to devtools · 24d0b3b3
  Peter Eastman authored Jul 21, 2014
  
  24d0b3b3
- Merge pull request #549 from swails/charmm_nbfix · 2a2fae31
  peastman authored Jul 21, 2014
```
Add NBFIX support to CHARMM parsers
```
  2a2fae31
- Make sure the parameter file gets copied over. · 920ddf97
  Jason Swails authored Jul 21, 2014
  
  920ddf97
- Merge pull request #548 from peastman/master · 213c77eb
  peastman authored Jul 21, 2014
```
Created ForceField.loadFile()
```
  213c77eb
- Created ForceField.loadFile() · 039b53b8
  peastman authored Jul 21, 2014
  
  039b53b8
- Merge pull request #547 from peastman/diis · 8db70d34
  peastman authored Jul 21, 2014
```
Implemented DIIS for converging AMOEBA induced dipoles
```
  8db70d34
- Make sure the necessary files get copied over. · b5c88967
  Jason Swails authored Jul 21, 2014
  
  b5c88967
- Add a test for CHARMM NBFIX and import CharmmPSFWarning into the · d978a87d
  Jason Swails authored Jul 21, 2014
```
simtk.openmm.app namespace to allow users to filter that warning out if they
want to.
```
  d978a87d
- Optimization to building DIIS matrix · bbbc3160
  peastman authored Jul 21, 2014
  
  bbbc3160
18 Jul, 2014 7 commits
- Initial CUDA implementation of DIIS · a346a6db
  peastman authored Jul 18, 2014
  
  a346a6db
- Make NBFIX ordering consistent. · feee6d25
  Jason Swails authored Jul 18, 2014
  
  feee6d25
- Fixed compilation errors on gcc · 49c9817f
  peastman authored Jul 18, 2014
  
  49c9817f
- Pass the custom force particle as a tuple of 1 parameter, rather than just as a · d47cb004
  Jason Swails authored Jul 17, 2014
```
single parameter.
```
  d47cb004
- setLongRangeCorrection -> setUseLongRangeCorrection · 8dda27f7
  Jason Swails authored Jul 18, 2014
  
  8dda27f7
- Implement NBFIX in the CHARMM parsers. · 4e68c476
  Jason Swails authored Jul 17, 2014
  
  4e68c476
- Merge pull request #541 from peastman/master · 61595804
  peastman authored Jul 17, 2014
```
Fixed error in DrudeForce::updateParametersInContext()
```
  61595804