Commits · 195bcecf2839458e14a7c8fe72e50f5380782dbc · tsoc / openmm

12 Aug, 2014 1 commit
- Avoid integer overflow when dealing with very large systems · edd91641
  peastman authored Aug 12, 2014
  
  edd91641
27 Jun, 2014 1 commit
- Fixed a rare memory corruption error when roundoff causes tile indices to be wrong · ece75910
  peastman authored Jun 27, 2014
  
  ece75910
07 Jan, 2014 1 commit
- Very minor optimization · 06db7ac4
  peastman authored Jan 07, 2014
  
  06db7ac4
04 Jun, 2013 1 commit

Converted the array containing atom block indices for the neighbor list from... · 2ff0b0ae

peastman authored Jun 04, 2013

Converted the array containing atom block indices for the neighbor list from ushort2 to int.  This removes the hard limit of 2 million atoms.

2ff0b0ae

19 Apr, 2013 1 commit

Fixes a hard to catch bug when a boundingBoxSize increases in size in between... · 282c6f2c

Yutong Zhao authored Apr 19, 2013

Fixes a hard to catch bug when a boundingBoxSize increases in size in between a timestep, but does not trigger a rebuild of the neighbourlist. Affects the usage of singlePeriodicCopy in nonbonded force.

282c6f2c

22 Mar, 2013 1 commit
- Merged 5.1Optimizations branch back to trunk · 93c467b2
  Peter Eastman authored Mar 22, 2013
  
  93c467b2
17 Oct, 2012 1 commit
- Finished implementing double precision for OpenCL · 59f8cf87
  Peter Eastman authored Oct 17, 2012
  
  59f8cf87
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
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
28 Oct, 2010 1 commit
- Fixes and optimizations to PME on CPU · 0b96aa2e
  Peter Eastman authored Oct 28, 2010
  
  0b96aa2e
21 Oct, 2010 1 commit
- Continuing to optimize nonbonded kernels for CPU · 077a93c8
  Peter Eastman authored Oct 21, 2010
  
  077a93c8
20 Oct, 2010 1 commit
- Began creating kernels optimized for CPU · e7b18ca4
  Peter Eastman authored Oct 20, 2010
  
  e7b18ca4