Commits · f4339363dcc4c904b2baae05949dedc0676b3f50 · tsoc / openmm

30 Mar, 2016 1 commit
- Fixed an error in the earlier fix for tabulated functions with interaction groups · 2653817d
  Peter Eastman authored Mar 30, 2016
  
  2653817d
28 Mar, 2016 1 commit
- Fixed bug using tabulated functions with interaction groups · 52ed82ec
  Peter Eastman authored Mar 28, 2016
  
  52ed82ec
17 Mar, 2016 1 commit
- Renamed enums that caused Fortran compiler errors · 1647f1e9
  peastman authored Mar 17, 2016
  
  1647f1e9
26 Feb, 2016 1 commit
- Part of the Ewald energy was being returned even when that force group wasn't requested · 34b7e213
  Peter Eastman authored Feb 26, 2016
  
  34b7e213
10 Feb, 2016 1 commit
- Fixed errors in CustomManyParticleForce · a7ce5784
  peastman authored Jan 22, 2016
  
  a7ce5784
05 Feb, 2016 1 commit
- Fixed another error in CustomIntegrator · c13a8697
  Peter Eastman authored Feb 05, 2016
  
  c13a8697
04 Feb, 2016 3 commits
- Fixed error in computing global variables · 5e6862fd
  Peter Eastman authored Feb 04, 2016
  
  5e6862fd
- Fixed compilation error in double precision mode · e726c909
  Peter Eastman authored Feb 04, 2016
  
  e726c909
- Parallelized the code for downloading positions · 8d293880
  Peter Eastman authored Feb 04, 2016
  
  8d293880
21 Jan, 2016 1 commit
- Created property for disabling the PME stream · 3a0fa3b2
  Peter Eastman authored Jan 20, 2016
  
  3a0fa3b2
20 Jan, 2016 1 commit
- Fixed bug in selecting device index · 35913c2a
  peastman authored Jan 20, 2016
  
  35913c2a
15 Jan, 2016 1 commit
- Loading a checkpoint marks that positions have been set · 2f5bb780
  Peter Eastman authored Jan 14, 2016
  
  2f5bb780
15 Dec, 2015 1 commit
- Minor optimization · 2a02b6f1
  Peter Eastman authored Dec 15, 2015
  
  2a02b6f1
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
04 Nov, 2015 1 commit
- Finished implementing CompoundIntegrator · 5fa6fbc1
  Peter Eastman authored Nov 04, 2015
  
  5fa6fbc1
29 Oct, 2015 1 commit
- Fixed some test failures on OpenCL with CPU device · 21e03362
  peastman authored Oct 29, 2015
  
  21e03362
27 Oct, 2015 1 commit
- Local memory array was wrong size with CPU device · 61ab8cb4
  peastman authored Oct 27, 2015
  
  61ab8cb4
26 Oct, 2015 2 commits

Enable testing of OpenCL platform on Travis-CI · f04f1c7d

Robert McGibbon authored Oct 23, 2015

This patch creates a new build in the Travis-CI matrix that compiles and
runs the OpenCL tests using the CPU OpenCL device (AMD drivers). Because
not all of the tests can complete in the allotted 50 minutes, the ctest
invocation is changed to run them in a random order.

This also adds a new executable, TestOpenCLDeviceQuery, that prints
out information about all of the OpenCL devices on the system.

f04f1c7d

Fix thread synchronization in customCentroidBond.cl · 0d34441d
Robert McGibbon authored Oct 25, 2015

0d34441d

25 Oct, 2015 1 commit
- Control what device is used for OpenCL tests · 1bea63f5
  Robert McGibbon authored Oct 25, 2015
  
  1bea63f5
19 Oct, 2015 2 commits
- Update based on code review · b00edc8e
  Robert T. McGibbon authored Oct 19, 2015
  
  b00edc8e
- Fix for r=0 in periodicdistance · fd792ec1
  Robert T. McGibbon authored Oct 19, 2015
  
  fd792ec1
08 Oct, 2015 1 commit
- Added checks for nan coordinates in CUDA and OpenCL · dd5e8e8b
  Peter Eastman authored Oct 08, 2015
  
  dd5e8e8b
02 Oct, 2015 1 commit
- Further improved energy accuracy in mixed precision mode · 1f2b65da
  Peter Eastman authored Oct 02, 2015
  
  1f2b65da
30 Sep, 2015 1 commit
- Don't try to build tests if BUILD_TESTING is off · 29137fd3
  Peter Eastman authored Sep 30, 2015
  
  29137fd3
23 Sep, 2015 3 commits
- Fixed compilation error on Windows · 97f5e611
  Peter Eastman authored Sep 23, 2015
  
  97f5e611
- Finished refactoring test cases · 8b5d3dc0
  Peter Eastman authored Sep 23, 2015
  
  8b5d3dc0
- Continuing to refactor tests · 2f553a66
  Peter Eastman authored Sep 23, 2015
  
  2f553a66
22 Sep, 2015 2 commits
- Continuing to refactor tests · 4ed151e1
  Peter Eastman authored Sep 22, 2015
  
  4ed151e1
- Continuing to refactor tests · ccd811da
  Peter Eastman authored Sep 22, 2015
  
  ccd811da
21 Sep, 2015 2 commits
- Changes to generating nonbonded kernels · a47300e6
  Peter Eastman authored Sep 21, 2015
  
  a47300e6
- Began refactoring of tests to eliminate duplicated code · a5a52dd1
  Peter Eastman authored Sep 21, 2015
  
  a5a52dd1
18 Sep, 2015 1 commit
- Created OpenCL implementation of periodicdistance() · eaef52d9
  peastman authored Sep 18, 2015
  
  eaef52d9
11 Sep, 2015 1 commit
- Minor optimization on AMD GPUs · c400a83b
  peastman authored Sep 11, 2015
  
  c400a83b
09 Sep, 2015 1 commit
- Fixed various bugs in CustomCentroidBondForce · 4a3f1743
  peastman authored Sep 09, 2015
  
  4a3f1743
04 Sep, 2015 1 commit
- Throw an exception if an illegal device or platform index is specified · d5f5193f
  peastman authored Sep 04, 2015
  
  d5f5193f
03 Sep, 2015 2 commits
- Fixed compilation error with gcc · 1c3e2d6f
  peastman authored Sep 03, 2015
  
  1c3e2d6f
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
02 Sep, 2015 1 commit
- Created OpenCL version of CustomCentroidBondForce · 7893f59a
  peastman authored Sep 02, 2015
  
  7893f59a