Commits · b54d7c63892506f1fe69c0f0e42a1a0a317d78ca · tsoc / openmm

22 Mar, 2011 2 commits
- Removed debugging code that accidentally got left in · c12bac04
  Peter Eastman authored Mar 22, 2011
  
  c12bac04
- Disabled compiler optimizations for integrator kernels, since they caused excessive error on Fermi · 017e60c5
  Peter Eastman authored Mar 22, 2011
  
  017e60c5
14 Mar, 2011 1 commit
- Fixed compilation errors in debug mode · 3b859566
  Peter Eastman authored Mar 14, 2011
  
  3b859566
05 Jan, 2011 1 commit
- Change to device selection code suggested by Mike Houston · 8b8defe8
  Peter Eastman authored Jan 05, 2011
  
  8b8defe8
19 Aug, 2010 1 commit
- Fixed a bug in identifying molecule groups · b0d2357c
  Peter Eastman authored Aug 19, 2010
  
  b0d2357c
18 Aug, 2010 1 commit
- Improved selection of the fastest device · 4025e9af
  Peter Eastman authored Aug 18, 2010
  
  4025e9af
28 Jul, 2010 2 commits
- Fixed error in previous checkin · 59e00d79
  Peter Eastman authored Jul 28, 2010
  
  59e00d79
- Timo's changes to more accurately select the fastest device · df5654ef
  Peter Eastman authored Jul 28, 2010
  
  df5654ef
20 Jul, 2010 1 commit
- Use native_exp and native_log when they are sufficiently accurate · c87cee06
  Peter Eastman authored Jul 20, 2010
  
  c87cee06
07 Jun, 2010 1 commit
- Minor optimizations to OpenCL · bd7cce70
  Peter Eastman authored Jun 07, 2010
  
  bd7cce70
01 Jun, 2010 1 commit
- Allow multiple buffers to be cleared by a single kernel, improving performance on small systems. · ef8a3447
  Peter Eastman authored Jun 01, 2010
  
  ef8a3447
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
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 1 commit
- Fixed compilation error under Windows · 1d8517a1
  Peter Eastman authored Apr 30, 2010
  
  1d8517a1
29 Apr, 2010 1 commit
- Check accuracy of native_ functions and only use them if they are accurate enough · b2960968
  Peter Eastman authored Apr 29, 2010
  
  b2960968
28 Apr, 2010 1 commit
- Optimization to OpenCL platform: use tabulated values for erfc() · 40891bab
  Peter Eastman authored Apr 28, 2010
  
  40891bab
08 Apr, 2010 1 commit
- Optimization: reduced the number of thread blocks · fac4150f
  Peter Eastman authored Apr 08, 2010
  
  fac4150f
05 Mar, 2010 1 commit
- Increased number of thread blocks · 45c23132
  Peter Eastman authored Mar 05, 2010
  
  45c23132
12 Jan, 2010 1 commit
- OpenCL kernels are now stored into a C++ class at build time rather than... · 6bbef600
  Peter Eastman authored Jan 12, 2010
```
OpenCL kernels are now stored into a C++ class at build time rather than installing them as text files.
```
  6bbef600
09 Jan, 2010 1 commit

Add updated platform support for the Khronos approved ICD model so AMD and... · 211042a9

Mike Houston authored Jan 09, 2010

Add updated platform support for the Khronos approved ICD model so AMD and newer Nvidia drivers on Windows/Linux will work.  Haven't tested Apple

211042a9

05 Jan, 2010 1 commit
- Fixed compilation warnings under Windows · 53539843
  Peter Eastman authored Jan 05, 2010
  
  53539843
23 Dec, 2009 1 commit
- Fixed compilation errors under Windows · bd9b78ba
  Peter Eastman authored Dec 23, 2009
  
  bd9b78ba
09 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 7eec4930
  Peter Eastman authored Dec 09, 2009
  
  7eec4930
07 Nov, 2009 1 commit
- Fixed two bugs · 8365dede
  Peter Eastman authored Nov 07, 2009
  
  8365dede
06 Nov, 2009 1 commit

Created (not yet fully debugged) OpenCL implementation of... · 3cf5495a

Peter Eastman authored Nov 06, 2009

Created (not yet fully debugged) OpenCL implementation of VariableVerletIntegrator and VariableLangevinIntegrator.

3cf5495a

21 Oct, 2009 1 commit
- Created OpenCL implementation of NonbondedForce that works with non-Nvidia processors · e43f14bf
  Peter Eastman authored Oct 21, 2009
  
  e43f14bf
08 Oct, 2009 2 commits
- Fixed a compilation error · efac00cf
  Peter Eastman authored Oct 08, 2009
  
  efac00cf
- Finished implementing cutoffs and periodic boundary conditions · a8e9c99a
  Peter Eastman authored Oct 08, 2009
  
  a8e9c99a
06 Oct, 2009 3 commits
- Fixed a problem under Nvidia's OpenCL implementation · 537221a0
  Peter Eastman authored Oct 06, 2009
  
  537221a0
- Refactored nonbonded kernel to allow the same code to be used for other forces · 072fc120
  Peter Eastman authored Oct 06, 2009
  
  072fc120
- Continuing implementation of nonbonded forces · c3125421
  Peter Eastman authored Oct 06, 2009
  
  c3125421
01 Oct, 2009 1 commit
- Began implementing nonbonded forces · 3976ad91
  Peter Eastman authored Oct 01, 2009
  
  3976ad91
25 Sep, 2009 1 commit
- Created OpenCL implementations of VerletIntegrator and SHAKE. · efc1083e
  Peter Eastman authored Sep 25, 2009
  
  efc1083e
24 Sep, 2009 2 commits
- Select the fastest OpenCL device automatically · 9532c446
  Peter Eastman authored Sep 24, 2009
  
  9532c446
- Continuing implementation of OpenCL platform. · ad4e1203
  Peter Eastman authored Sep 24, 2009
  
  ad4e1203
23 Sep, 2009 1 commit
- Changes to support compilation on Snow Leopard · afbf885d
  Peter Eastman authored Sep 23, 2009
  
  afbf885d
18 Sep, 2009 1 commit
- Continuing implementation of OpenCL platform · b3781c23
  Peter Eastman authored Sep 18, 2009
  
  b3781c23
17 Sep, 2009 1 commit
- Very beginnings of support for OpenCL · 437ca02f
  Peter Eastman authored Sep 17, 2009
  
  437ca02f
16 May, 2009 1 commit
- License header changes; force duplication factor to 4; fixed potential problem... · 0b4ce03d
  Mark Friedrichs authored May 16, 2009
```
License header changes; force duplication factor to 4; fixed potential problem w/ Shake -- if no constraints, pgm crashes
```
  0b4ce03d
28 Jan, 2009 1 commit
- Added Mike Houston to the author list for all the Brook files · bba540dd
  Peter Eastman authored Jan 28, 2009
  
  bba540dd