Commits · 00eec5eab1cb3f41088e7fe09761ba28886bd5a0 · tsoc / openmm · GitLab

26 May, 2010 1 commit
- Fixed a field that was not getting initialized · 00eec5ea
  Peter Eastman authored May 26, 2010
  
  00eec5ea
25 May, 2010 1 commit
- Bug fixes to CustomGBForce · bc025a7b
  Peter Eastman authored May 25, 2010
  
  bc025a7b
22 May, 2010 1 commit
- Fixed some compilation warnings · 729bcde9
  Peter Eastman authored May 22, 2010
  
  729bcde9
21 May, 2010 1 commit
- Fixed compilation error on some OpenCL implementations · 5d4ff603
  Peter Eastman authored May 21, 2010
  
  5d4ff603
17 May, 2010 1 commit
- Restructured API for periodic box size so it is now queried from State rather than Context · 87542608
  Peter Eastman authored May 17, 2010
  
  87542608
15 May, 2010 1 commit
- Created CUDA implementation of MonteCarloBarostat · 607f2b6a
  Peter Eastman authored May 15, 2010
  
  607f2b6a
14 May, 2010 1 commit
- Fixed problems in MonteCarloBarostat and created OpenCL implementation · 70ca43ad
  Peter Eastman authored May 14, 2010
  
  70ca43ad
07 May, 2010 1 commit
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
05 May, 2010 4 commits
- Turn on default building of OpenCL plugin for all platforms. · f2ad92a4
  Christopher Bruns authored May 05, 2010
```
Unify FindOpenCL.cmake files to one location, under cmake_modules.
Other changes to permit building with nvidia opencl on Windows.
```
  f2ad92a4
- Added OPENMM_EXPORT to various OpenCL platform headers · 89870651
  Peter Eastman authored May 05, 2010
  
  89870651
- CustomGBForce allows single-particle values to depend on position · 43e6e68c
  Peter Eastman authored May 05, 2010
  
  43e6e68c
- Updated to latest version of cl.hpp · 74ef687d
  Peter Eastman authored May 05, 2010
  
  74ef687d
04 May, 2010 2 commits
- Reverted the changes from revision 2214, which triggered a bug in the ATI compiler · a8ceded2
  Peter Eastman authored May 04, 2010
  
  a8ceded2
- 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 2 commits
- Fixed bug in Langevin integration when used with constraints · bd42d039
  Peter Eastman authored Apr 23, 2010
  
  bd42d039
- Fixed threading bug in CM motion removal · 4a401e78
  Peter Eastman authored Apr 23, 2010
  
  4a401e78
22 Apr, 2010 1 commit
- Converted OpenCL platform to use improved Langevin integrator · fee019b0
  Peter Eastman authored Apr 22, 2010
  
  fee019b0
20 Apr, 2010 4 commits
- Fixed error under Nvidia's OpenCL · 1cb9e183
  Peter Eastman authored Apr 20, 2010
  
  1cb9e183
- 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
16 Apr, 2010 2 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
14 Apr, 2010 1 commit
- OpenCL version of CustomHbondForce now supports exclusions · e706d710
  Peter Eastman authored Apr 14, 2010
  
  e706d710