Commits · 1763a7647ad427e8abde790bf6d0a3d856d824c2 · tsoc / openmm · GitLab

04 May, 2010 1 commit
- Fixed bug in computing chain rule terms for CustomGBForce · 1763a764
  Peter Eastman authored May 04, 2010
  
  1763a764
01 May, 2010 1 commit
- Corrected the syntax for the reqd_work_group_size attribute · e918cb6f
  Peter Eastman authored May 01, 2010
  
  e918cb6f
30 Apr, 2010 4 commits
- Fixed compilation error under Windows · 1d8517a1
  Peter Eastman authored Apr 30, 2010
  
  1d8517a1
- Minor simplification to nonbonded kernel · 31ed4381
  Peter Eastman authored Apr 30, 2010
  
  31ed4381
- Too much local memory was being requested for the nonbonded kernel, leading to low occupancy · 0dbb8a47
  Peter Eastman authored Apr 30, 2010
  
  0dbb8a47
- Removed debugging code that accidentally got left in · b2c970f4
  Peter Eastman authored Apr 30, 2010
  
  b2c970f4
29 Apr, 2010 3 commits
- Added reqd_work_group_size attribute to some kernels · 5281aba4
  Peter Eastman authored Apr 29, 2010
  
  5281aba4
- Check accuracy of native_ functions and only use them if they are accurate enough · b2960968
  Peter Eastman authored Apr 29, 2010
  
  b2960968
- Eliminated more local memory bank conflicts · a0651b5b
  Peter Eastman authored Apr 29, 2010
  
  a0651b5b
28 Apr, 2010 5 commits
- Reduced bank conflicts in nonbonded kernel · 7b3a8266
  Peter Eastman authored Apr 28, 2010
  
  7b3a8266
- Restructured local memory in nonbonded kernel to reduce bank conflicts · cd6cb66a
  Peter Eastman authored Apr 28, 2010
  
  cd6cb66a
- Removed unnecessary sampler declaration · 466f7ac1
  Peter Eastman authored Apr 28, 2010
  
  466f7ac1
- Switched erfc table to use constant memory instead of texture cache · 3344bb7a
  Peter Eastman authored Apr 28, 2010
  
  3344bb7a
- Optimization to OpenCL platform: use tabulated values for erfc() · 40891bab
  Peter Eastman authored Apr 28, 2010
  
  40891bab
26 Apr, 2010 3 commits
- Optimizations to OpenCL platform · 3f2c29fb
  Peter Eastman authored Apr 26, 2010
  
  3f2c29fb
- Optimized OpenCL version of CCMA · 62a83f80
  Peter Eastman authored Apr 26, 2010
  
  62a83f80
- Fixed compilation error under Windows · e1a9418d
  Peter Eastman authored Apr 26, 2010
  
  e1a9418d
23 Apr, 2010 4 commits
- Fixed bug in Langevin integration when used with constraints · bd42d039
  Peter Eastman authored Apr 23, 2010
  
  bd42d039
- Removed ALREADY_MODIFIED_PATH variable in gpu sniffer link stanza, which I am... · 906a35f2
  Christopher Bruns authored Apr 23, 2010
```
Removed ALREADY_MODIFIED_PATH variable in gpu sniffer link stanza, which I am pretty sure would not have worked as desired.
```
  906a35f2
- Modified link path in platforms/cuda/CMakeLists.txt to increase likelihood... · f241d05b
  Christopher Bruns authored Apr 23, 2010
```
Modified link path in platforms/cuda/CMakeLists.txt to increase likelihood that CUDA_HAVE_GPU flag will be set.
```
  f241d05b
- Fixed threading bug in CM motion removal · 4a401e78
  Peter Eastman authored Apr 23, 2010
  
  4a401e78
22 Apr, 2010 4 commits
- Bug fix · 39fd6eb6
  Peter Eastman authored Apr 22, 2010
  
  39fd6eb6
- Converted OpenCL platform to use improved Langevin integrator · fee019b0
  Peter Eastman authored Apr 22, 2010
  
  fee019b0
- Converted Cuda platform to use improved Langevin integrator · 8725cede
  Peter Eastman authored Apr 22, 2010
  
  8725cede
- Fixed compilation error on Windows · 15a8478e
  Peter Eastman authored Apr 22, 2010
  
  15a8478e
21 Apr, 2010 3 commits
- Converted reference implementation of Langevin integrator to use a different algorithm · 75acdad0
  Peter Eastman authored Apr 21, 2010
  
  75acdad0
- Fixed compilation error under Windows · 7f486d6b
  Peter Eastman authored Apr 21, 2010
  
  7f486d6b
- Install directory now looks much more like actual OpenMM releases. · f7c92bbd
  Christopher Bruns authored Apr 21, 2010
  
  f7c92bbd
20 Apr, 2010 6 commits
- Fixed error under Nvidia's OpenCL · 1cb9e183
  Peter Eastman authored Apr 20, 2010
  
  1cb9e183
- Fixed error in CMake file · 809c1308
  Peter Eastman authored Apr 20, 2010
  
  809c1308
- Started making some improvements to installer behavior. · 86fc3001
  Christopher Bruns authored Apr 20, 2010
```
Including installing Test<Platform>HarmonicBondForce tests.
```
  86fc3001
- Fixed bugs in OpenCL CustomHbondForce · 14125aa9
  Peter Eastman authored Apr 20, 2010
  
  14125aa9
- Fixed compilation error · f2012ad8
  Peter Eastman authored Apr 20, 2010
  
  f2012ad8
- Workaround for AMD OpenCL bug: FFT can work with a smaller number of threads per work group · 374676c0
  Peter Eastman authored Apr 20, 2010
  
  374676c0
19 Apr, 2010 3 commits
- Added parenthesis workaround for using std::min/max on Windows, to prevent compile error. · ae36b287
  Christopher Bruns authored Apr 19, 2010
  
  ae36b287
- Default building of CUDA free energy plugin to "OFF" if cuda was not found. · 86f95f4c
  Christopher Bruns authored Apr 19, 2010
  
  86f95f4c
- Added modern findpackagehandlestandardargs technique to FindCUDA.cmake, to... · 754e66dd
  Christopher Bruns authored Apr 19, 2010
```
Added modern findpackagehandlestandardargs technique to FindCUDA.cmake, to permit configuration on machine
with no cuda installed.
```
  754e66dd
16 Apr, 2010 3 commits
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
- Fixed bug when a system involved multiple nonbonded forces (bug 1080) · 5bca8d12
  Peter Eastman authored Apr 16, 2010
  
  5bca8d12
- Changed link line for gpu sniffing program so it works on Windows with new... · 06a20544
  Christopher Bruns authored Apr 16, 2010
```
Changed link line for gpu sniffing program so it works on Windows with new single FindCuda location.
```
  06a20544