Commits · cfa7ab82e453c2ee4b4067ff66e51f35f25dce9c · tsoc / openmm

10 Jan, 2017 1 commit
- Fixed bug in building neighbor list · cfa7ab82
  Peter Eastman authored Jan 10, 2017
  
  cfa7ab82
02 Dec, 2016 1 commit
- Fixed error building neighbor list with triclinic boxes · 5e535679
  Peter Eastman authored Dec 02, 2016
  
  5e535679
01 Dec, 2016 2 commits
- Fixed error compiling kernel · ea3c4747
  Peter Eastman authored Dec 01, 2016
  
  ea3c4747
- Langevin integrator supports setting friction to 0 · 37a87d8a
  Peter Eastman authored Dec 01, 2016
  
  37a87d8a
30 Nov, 2016 1 commit
- Fixes to CustomIntegrator · 403e4744
  Peter Eastman authored Nov 29, 2016
  
  403e4744
07 Nov, 2016 1 commit
- Fixed bug in switching functions with CustomNonbondedForce · c300870a
  Peter Eastman authored Nov 07, 2016
  
  c300870a
18 Oct, 2016 1 commit
- Fixed bug in OpenCL as well · 2c47f7b2
  Peter Eastman authored Oct 18, 2016
  
  2c47f7b2
12 Sep, 2016 1 commit
- Minor optimizations · 5ab3c394
  Peter Eastman authored Sep 12, 2016
  
  5ab3c394
06 Sep, 2016 2 commits
- Bug fix · ddcbe161
  Peter Eastman authored Sep 06, 2016
  
  ddcbe161
- Improved GB performance in mixed precision · bb7cba08
  Peter Eastman authored Sep 06, 2016
  
  bb7cba08
02 Sep, 2016 1 commit
- Minor code cleanup · 43c8e814
  peastman authored Sep 02, 2016
  
  43c8e814
19 Aug, 2016 2 commits
- Further optimizations to neighbor list · b07cf776
  Peter Eastman authored Aug 19, 2016
  
  b07cf776
- Minor optimizations · d927ff49
  Peter Eastman authored Aug 19, 2016
  
  d927ff49
09 Aug, 2016 1 commit
- Fixed compilation error in mixed precision mode · ddd7307d
  Peter Eastman authored Aug 09, 2016
  
  ddd7307d
05 Aug, 2016 1 commit
- Fixed compilation error with OpenCL on CPU · 2f024f11
  peastman authored Aug 05, 2016
  
  2f024f11
29 Jul, 2016 2 commits
- Bug fixes to OpenCL on CPU · 823b9a75
  peastman authored Jul 29, 2016
  
  823b9a75
- CUDA and OpenCL implementation of parameter derivatives for CustomCentroidBondForce · b90354c9
  Peter Eastman authored Jul 29, 2016
  
  b90354c9
27 Jul, 2016 2 commits
- Continuing CUDA implementation of parameter derivatives · 4949017b
  Peter Eastman authored Jul 27, 2016
  
  4949017b
- Bug fixes to parameter derivatives for OpenCL CustomGBForce · e47cf907
  peastman authored Jul 27, 2016
  
  e47cf907
26 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomIntegrator · dbdf1c68
  peastman authored Jul 26, 2016
  
  dbdf1c68
22 Jul, 2016 1 commit
- OpenCL implementation of parameter derivatives for CustomGBForce · 74efa95f
  peastman authored Jul 22, 2016
  
  74efa95f
07 Jul, 2016 1 commit
- Implemented parameter derivatives in OpenCL platform · d0d8fe98
  peastman authored Jul 07, 2016
  
  d0d8fe98
27 Jun, 2016 1 commit
- Fixed energy error for Drude particle at same location as its parent atom · 9b9002c7
  Peter Eastman authored Jun 27, 2016
  
  9b9002c7
06 Jun, 2016 1 commit
- Fixed error with PME when particles are exactly on top of each other · 04165dc1
  peastman authored Jun 06, 2016
  
  04165dc1
25 May, 2016 3 commits
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1
- OpenCL version of GayBerneForce requires 64 bit atomics · 5ecc8e00
  Peter Eastman authored May 25, 2016
  
  5ecc8e00
- Continuing to implement OpenCL version of GayBerneForce · f1ca1e6d
  Peter Eastman authored May 25, 2016
  
  f1ca1e6d
24 May, 2016 1 commit
- Continuing OpenCL implementation of GayBerneForce · 3250fb43
  peastman authored May 24, 2016
  
  3250fb43
20 May, 2016 2 commits
- Continuing OpenCL implementation of GayBerneForce · 522e133e
  peastman authored May 20, 2016
  
  522e133e
- Began creating OpenCL implementation of GayBerneForce · 69cab567
  peastman authored May 19, 2016
  
  69cab567
13 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · e1181999
  Peter Eastman authored May 13, 2016
  
  e1181999
11 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · fcbee6a5
  Peter Eastman authored May 11, 2016
  
  fcbee6a5
12 Apr, 2016 1 commit
- OpenCL and CUDA implementation of periodic boundary conditions for bonded forces · 00c22e34
  Peter Eastman authored Apr 12, 2016
  
  00c22e34
10 Feb, 2016 1 commit
- Fixed errors in CustomManyParticleForce · a7ce5784
  peastman authored Jan 22, 2016
  
  a7ce5784
11 Dec, 2015 1 commit
- Fixed error in energy computation · 86b2af14
  peastman authored Dec 11, 2015
  
  86b2af14
05 Nov, 2015 1 commit
- Fixed a race condition in energy computation · 5cb6ad03
  Peter Eastman authored Nov 05, 2015
  
  5cb6ad03
29 Oct, 2015 1 commit
- Fixed some test failures on OpenCL with CPU device · 21e03362
  peastman authored Oct 29, 2015
  
  21e03362
26 Oct, 2015 1 commit
- Fix thread synchronization in customCentroidBond.cl · 0d34441d
  Robert McGibbon authored Oct 25, 2015
  
  0d34441d
02 Oct, 2015 1 commit
- Further improved energy accuracy in mixed precision mode · 1f2b65da
  Peter Eastman authored Oct 02, 2015
  
  1f2b65da
21 Sep, 2015 1 commit
- Changes to generating nonbonded kernels · a47300e6
  Peter Eastman authored Sep 21, 2015
  
  a47300e6