Commits · c019448416251fcdd6b20bf97fd3d188484bfc48 · tsoc / openmm

23 Jul, 2014 4 commits
- Fixed anisotropy for terminal residues · c0194484
  peastman authored Jul 23, 2014
  
  c0194484
- 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
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Lots of cleanup to how documentation gets built
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  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
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[WIP] Virtual Machine for Centos 6.5 Build
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  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
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Renamed tools to devtools
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  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
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Add NBFIX support to CHARMM parsers
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  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
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Created ForceField.loadFile()
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  213c77eb
- Created ForceField.loadFile() · 039b53b8
  peastman authored Jul 21, 2014
  
  039b53b8
- Merge pull request #547 from peastman/diis · 8db70d34
  peastman authored Jul 21, 2014
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Implemented DIIS for converging AMOEBA induced dipoles
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  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
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simtk.openmm.app namespace to allow users to filter that warning out if they
want to.
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  d978a87d
- Optimization to building DIIS matrix · bbbc3160
  peastman authored Jul 21, 2014
  
  bbbc3160
18 Jul, 2014 8 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
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single parameter.
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  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
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Fixed error in DrudeForce::updateParametersInContext()
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  61595804
- Fixed error in DrudeForce::updateParametersInContext() · 0fc61dbf
  peastman authored Jul 17, 2014
  
  0fc61dbf
17 Jul, 2014 9 commits
- Merge pull request #532 from swails/lj1264 · 8ed75197
  peastman authored Jul 17, 2014
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Support new 12-6-4 potential
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  8ed75197
- Make sure inpcrd files are copied to the build directory. · eb6cbd04
  Jason Swails authored Jul 17, 2014
  
  eb6cbd04
- Merge pull request #539 from swails/fix_customnonbondedforce_segfault · 8a8a2c66
  peastman authored Jul 17, 2014
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Fix customnonbondedforce segfault
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  8a8a2c66
- Add a test for the 12-6-4 potential. · 26dab00b
  Jason Swails authored Jul 15, 2014
  
  26dab00b
- Add 12-6-4 potential support. · c4943555
  Jason Swails authored Jul 15, 2014
  
  c4943555
- Add a comment about updating the copy constructor if the implementation details · 80273800
  Jason Swails authored Jul 17, 2014
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are changed for CustomNonbondedForce.
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  80273800
- Get rid of vestigial variable. · 025892d7
  Jason Swails authored Jul 17, 2014
  
  025892d7
- - Make the TabulatedFunction::Copy method a pure virtual. · c3ad0e3e
  Jason Swails authored Jul 17, 2014
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- Don't make a Copy method on FunctionInfo
- Have the Copy() methods on the TabulatedFunction subclasses return a pointer
```
  c3ad0e3e
- Created reference implementation of DIIS for converging AMOEBA dipoles. Also... · 5c733e82
  peastman authored Jul 17, 2014
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Created reference implementation of DIIS for converging AMOEBA dipoles.  Also some minor code cleanup.
```
  5c733e82