Commits · cfcebe266cf5dc915dfc59470edc933161d6730d · tsoc / openmm

25 Nov, 2009 3 commits
- 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
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  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 12 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
- CMake changes to permit more clever selection of what to build. · c90f2f84
  Christopher Bruns authored Nov 19, 2009
```
So nightly builds can build CUDA and API wrappers when prerequisites are present.
While still being gentle on third party cmake builders.
New cmake_modules directory contains FindCUDA.cmake from cmake 2.8.0, and
Find OpenCL.cmake from platforms/OpenCL directory.
```
  c90f2f84
- Inactivated static tests · 8428a88f
  Mark Friedrichs authored Nov 19, 2009
  
  8428a88f
- Activated static tests · d80ba38f
  Mark Friedrichs authored Nov 19, 2009
```
Fixed bug: was calling kReduceObcGbsaSoftcoreBornForces instead of kReduceGBVISoftcoreBornForces in GB/VI force calculation
```
  d80ba38f
- Missing include file · 8fc504ed
  Mark Friedrichs authored Nov 19, 2009
  
  8fc504ed
18 Nov, 2009 13 commits
- Added extern' to SetCalculateLocalSoftcoreGpuSim definition · e6bd8433
  Mark Friedrichs authored Nov 18, 2009
  
  e6bd8433
- Mods to get Free energy plugin libs to compile on Windows; still problem w/... · 98c26853
  Mark Friedrichs authored Nov 18, 2009
```
Mods to get Free energy plugin libs to compile on Windows; still problem w/ kCalculateLocalSoftcoreForces.cu
and hence OpenMMFreeEnergyCuda lib
```
  98c26853
- Reference platform no longer premultiplies charges by sqrt(1/4*pi*eps0). · cf7d9866
  Peter Eastman authored Nov 18, 2009
  
  cf7d9866
- Fixed some Valgrind warnings · a170606b
  Peter Eastman authored Nov 18, 2009
  
  a170606b
- Fixed compilation errors under Windows · 15899649
  Peter Eastman authored Nov 18, 2009
  
  15899649
- Custom forces in OpenCL platform support an unlimited number of parameters · 8a1641ff
  Peter Eastman authored Nov 18, 2009
  
  8a1641ff
- Clean up to remove warning · b321a758
  Mark Friedrichs authored Nov 18, 2009
  
  b321a758
- Mods for Windows · b8019839
  Mark Friedrichs authored Nov 18, 2009
  
  b8019839
- Mods to get rng to compile on Linux · 0d19a61c
  Mark Friedrichs authored Nov 18, 2009
  
  0d19a61c
- Mods to get rng to compile on Windows · 35daf780
  Mark Friedrichs authored Nov 18, 2009
  
  35daf780
- Change double to RealOpenMM to remove build warnings · c4b8ba2d
  Mark Friedrichs authored Nov 18, 2009
  
  c4b8ba2d
- Added #include <typeinfo> to see if it removes errors associated w/... · 9535bef7
  Mark Friedrichs authored Nov 18, 2009
```
Added #include <typeinfo> to see if it removes errors associated w/ std::bad_cast on Linux Ubuntu 4.3.2
```
  9535bef7
- Removed reference to cudaKernels.h · 7ca951d1
  Mark Friedrichs authored Nov 18, 2009
  
  7ca951d1
17 Nov, 2009 1 commit
- Created CUDA implementation of CustomExternalForce · 77d3b647
  Peter Eastman authored Nov 17, 2009
  
  77d3b647