Commits · 535710eceb46a9df7bb843a95b2850e614fb4b24 · tsoc / openmm

"openmmapi/include/Force.h" did not exist on "0e879806cdd38e58b04481ecf7fcd93c44c7dc27"

01 Dec, 2009 9 commits
- Fixed a compilation error under Windows · 535710ec
  Peter Eastman authored Dec 01, 2009
  
  535710ec
- NML loading sanity test gets much farther on Linux, but still fails · 832b8a42
  Christopher Bruns authored Dec 01, 2009
  
  832b8a42
- Fixed a compilation error under Linux · f46ebafb
  Peter Eastman authored Dec 01, 2009
  
  f46ebafb
- Renamed getPlatform() to getPlatformByName() · 6b088a6a
  Peter Eastman authored Dec 01, 2009
  
  6b088a6a
- Renamed getPlatform() to getPlatformByName() · ab31a17d
  Peter Eastman authored Dec 01, 2009
  
  ab31a17d
- Changed how plugin initialization is done to avoid initialization order problems · 32946009
  Peter Eastman authored Dec 01, 2009
  
  32946009
- Added magical cmake incantation to avoid TestNormalModeLangevin not found error. · 61eed805
  Christopher Bruns authored Dec 01, 2009
```
(It still *fails*, but at least it is found)
```
  61eed805
- Change link line for NML plugin in response to nightly build failures. · cffb9277
  Christopher Bruns authored Dec 01, 2009
  
  cffb9277
- Avoid link error with TestNormalModeLangevin by linking to ${SHARED_TARGET} instead of to "OpenMM" · 98111cdd
  Christopher Bruns authored Dec 01, 2009
  
  98111cdd
30 Nov, 2009 1 commit
- NML cmake install change to avoid cmake error on linux. · 40f67e33
  Christopher Bruns authored Nov 30, 2009
  
  40f67e33
27 Nov, 2009 1 commit
- Removed routines to copy forces: Peter pointed out a shallow copy using copy... · 959869fe
  Mark Friedrichs authored Nov 27, 2009
```
Removed routines to copy forces: Peter pointed out a shallow copy using copy constructors is sufficient
```
  959869fe
26 Nov, 2009 4 commits
- Improved capitalization in FindOpenCL.cmake, so QUIET keyword will be respected · 2cdb14ef
  Christopher Bruns authored Nov 26, 2009
```
Reorganized platform analysis in NML init method.
Failed attempt to get OPENMM_PLUGIN_DIR working for NML test.
```
  2cdb14ef
- Removal of CudaFreeEnergyPlatform · ffc44a95
  Mark Friedrichs authored Nov 26, 2009
  
  ffc44a95
- Removal of CudaFreeEnergyPlatform · 844a0bf6
  Mark Friedrichs authored Nov 26, 2009
  
  844a0bf6
- Removal of ReferenceFreeEnergyPlatform · 3f9a1d9d
  Mark Friedrichs authored Nov 26, 2009
  
  3f9a1d9d
25 Nov, 2009 6 commits
- Fixed compilation errors · 6e543d20
  Peter Eastman authored Nov 25, 2009
  
  6e543d20
- TestNormalModeLangevin now returns 1 on failure, instead of unhandled exception. · 9904545a
  Christopher Bruns authored Nov 25, 2009
  
  9904545a
- Hack particular gccxml location for one particular nightly build machine. · d9e73e43
  Christopher Bruns authored Nov 25, 2009
```
Incorporate Normal Mode Langevin openmm code from Chris Sweet as a plugin.  (compiles on windows, but no actual testing done)
```
  d9e73e43
- Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26
  Peter Eastman authored Nov 25, 2009
```
Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.
```
  cfcebe26
- Finished reference implementation of CustomGBForce · 3a6d79b3
  Peter Eastman authored Nov 25, 2009
  
  3a6d79b3
- Continuing implementation of CustomGBForce · 4747b0f2
  Peter Eastman authored Nov 25, 2009
  
  4747b0f2
24 Nov, 2009 3 commits
- Added some optimizations · bdc71cd4
  Peter Eastman authored Nov 24, 2009
  
  bdc71cd4
- Preliminary implementation of CustomGBForce · b5edab67
  Peter Eastman authored Nov 24, 2009
  
  b5edab67
- Turn on free energy plugin by default · 3d726655
  Christopher Bruns authored Nov 24, 2009
```
Set NVCC_FLAGS to particular value in new cmake_modules/FindCUDA.cmake
```
  3d726655
23 Nov, 2009 5 commits
- Mods to remove VC 8 warnings · ca21532c
  Mark Friedrichs authored Nov 23, 2009
  
  ca21532c
- Mods to get validation code to compile on windows · 4112ece5
  Mark Friedrichs authored Nov 23, 2009
  
  4112ece5
- Added libraries/validate · e8a4c506
  Mark Friedrichs authored Nov 23, 2009
  
  e8a4c506
- Library to check that forces agree across platforms · 248a01f4
  Mark Friedrichs authored Nov 23, 2009
  
  248a01f4
- Added some optimizations · 4cbb82d4
  Peter Eastman authored Nov 23, 2009
  
  4cbb82d4
20 Nov, 2009 3 commits
- bornRadiusScaleFactors were not included in second GB/VI force loop · ab09b522
  Mark Friedrichs authored Nov 20, 2009
```
removed some cruft
```
  ab09b522
- Improved display of expressions when printing them to a stream · c0ad3f03
  Peter Eastman authored Nov 20, 2009
  
  c0ad3f03
- CMake hacks to avoid serious errors when parsing CMakeLists.txt on Dart server with Cmake 2.4 · 055e308a
  Christopher Bruns authored Nov 20, 2009
  
  055e308a
19 Nov, 2009 8 commits
- Updated Doxygen comments · dceb3d37
  Peter Eastman authored Nov 19, 2009
  
  dceb3d37
- Fixed compiler warnings · 6186c067
  Peter Eastman authored Nov 19, 2009
  
  6186c067
- Added a newline at the end of the file to make the compiler stop complaining · cd418100
  Peter Eastman authored Nov 19, 2009
  
  cd418100
- Fixed an overly strict tolerance in a test case · 87815e8c
  Peter Eastman authored Nov 19, 2009
  
  87815e8c
- Fixed compilation warnings under Windows · fa818ff9
  Peter Eastman authored Nov 19, 2009
  
  fa818ff9
- Fixed a memory leak · c3ba6917
  Peter Eastman authored Nov 19, 2009
  
  c3ba6917
- Implemented step function in custom expressions · 2f81944d
  Peter Eastman authored Nov 19, 2009
  
  2f81944d
- Change capitalization of FindOpenCL.cmake to match original file. · 75bbd639
  Christopher Bruns authored Nov 19, 2009
```
Turn on free energy plugin by default.
Better rule for when to default build OpenMM wrappers.
Several tweaks to advanced vs. non-advanced cmake variables.
```
  75bbd639