Commits · 03a5288d3eabdbf478cc069ebf49e47f50734915 · tsoc / openmm

10 Nov, 2011 1 commit
- Fixed lots of warnings and errors on Lion · 03a5288d
  Peter Eastman authored Nov 10, 2011
  
  03a5288d
07 Oct, 2011 1 commit
- Added "const" and "restrict" to lots of kernel arguments to let the compiler do more optimizations · 69e75377
  Peter Eastman authored Oct 07, 2011
  
  69e75377
19 Sep, 2011 1 commit
- Minor optimizations to custom forces · 84f5e008
  Peter Eastman authored Sep 19, 2011
  
  84f5e008
02 Sep, 2011 1 commit
- On Fermi, store forces as 64 bit fixed point and update with atomic... · d9029f61
  Peter Eastman authored Sep 02, 2011
```
On Fermi, store forces as 64 bit fixed point and update with atomic operations.  Also various other minor optimizations.
```
  d9029f61
09 May, 2011 1 commit
- Restructured the use of force buffers in a new way that hopefully really works everywhere. · 7943a339
  Peter Eastman authored May 09, 2011
  
  7943a339
04 May, 2011 1 commit
- Very minor optimizations · a7b68da3
  Peter Eastman authored May 04, 2011
  
  a7b68da3
29 Apr, 2011 1 commit
- Reduced number of force buffers to one per work group. Increased work group... · 80eb063d
  Peter Eastman authored Apr 29, 2011
```
Reduced number of force buffers to one per work group.  Increased work group size for nonbonded interactions.
```
  80eb063d
03 Mar, 2011 1 commit
- Fixed round-off error that occasionally caused errors in the neighbor list · 0de92fdc
  Peter Eastman authored Mar 03, 2011
  
  0de92fdc
17 Nov, 2010 1 commit
- Created CustomGBForce kernels optimized for CPU. Fixed bugs in CPU GBSA kernels. · 562cfb39
  Peter Eastman authored Nov 17, 2010
  
  562cfb39
23 Aug, 2010 1 commit
- Finished changes to reduce memory use for large systems · 839f9a81
  Peter Eastman authored Aug 23, 2010
  
  839f9a81
20 Aug, 2010 1 commit
- Continuing changes to reduce memory use for large systems · a8fe9cea
  Peter Eastman authored Aug 20, 2010
  
  a8fe9cea
19 Aug, 2010 1 commit
- Continuing changes to reduce memory use for large systems · 22078b69
  Peter Eastman authored Aug 19, 2010
  
  22078b69
18 Aug, 2010 1 commit
- Beginning of changes to reduce memory use for large systems · 9a4e2b02
  Peter Eastman authored Aug 18, 2010
  
  9a4e2b02
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
29 Apr, 2010 2 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
26 Apr, 2010 1 commit
- Optimizations to OpenCL platform · 3f2c29fb
  Peter Eastman authored Apr 26, 2010
  
  3f2c29fb
04 Jan, 2010 1 commit
- Fixed bugs in OpenCL CustomGBForce · 8af0ac1c
  Peter Eastman authored Jan 04, 2010
  
  8af0ac1c
19 Dec, 2009 1 commit
- Created non-Nvidia-specific kernels for CustomGBForce (not yet fully debugged) · 985da46e
  Peter Eastman authored Dec 19, 2009
  
  985da46e
10 Dec, 2009 2 commits
- Fixed bugs in OpenCL implementation of CustomGBForce · f11a6aea
  Peter Eastman authored Dec 10, 2009
  
  f11a6aea
- Continuing OpenCL implementation of CustomGBForce · 09777f85
  Peter Eastman authored Dec 10, 2009
  
  09777f85
09 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 7eec4930
  Peter Eastman authored Dec 09, 2009
  
  7eec4930
08 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 9ed2c870
  Peter Eastman authored Dec 08, 2009
  
  9ed2c870
28 Oct, 2009 1 commit
- Created OpenCL implementation of GBSAOBCForce that works with non-Nvidia processors · 95e059dc
  Peter Eastman authored Oct 28, 2009
  
  95e059dc
21 Oct, 2009 1 commit
- Created OpenCL implementation of NonbondedForce that works with non-Nvidia processors · e43f14bf
  Peter Eastman authored Oct 21, 2009
  
  e43f14bf
19 Oct, 2009 1 commit
- Optimized nonbonded kernels by inlining lots of constant quantities · d65992ea
  Peter Eastman authored Oct 19, 2009
  
  d65992ea
14 Oct, 2009 1 commit
- Finished OpenCL implementation of GBSA (not yet fully debugged) · 2a465d40
  Peter Eastman authored Oct 14, 2009
  
  2a465d40
10 Oct, 2009 1 commit
- Began OpenCL implementation of GBSA · ffab317b
  Peter Eastman authored Oct 10, 2009
  
  ffab317b
08 Oct, 2009 1 commit
- Finished implementing cutoffs and periodic boundary conditions · a8e9c99a
  Peter Eastman authored Oct 08, 2009
  
  a8e9c99a
06 Oct, 2009 3 commits
- Refactored nonbonded kernel to allow the same code to be used for other forces · 072fc120
  Peter Eastman authored Oct 06, 2009
  
  072fc120
- Implemented cutoffs and periodic boundary conditions · d70147d5
  Peter Eastman authored Oct 06, 2009
  
  d70147d5
- Continuing implementation of nonbonded forces · c3125421
  Peter Eastman authored Oct 06, 2009
  
  c3125421
01 Oct, 2009 2 commits
- Continuing implementation of nonbonded forces · ed1fb192
  Peter Eastman authored Oct 01, 2009
  
  ed1fb192
- Began implementing nonbonded forces · 3976ad91
  Peter Eastman authored Oct 01, 2009
  
  3976ad91