Commits · ff7f1035069ada38434ece6a76e0a0cee87add38 · tsoc / openmm

19 Oct, 2012 1 commit
- The test for identical exceptions between nonbonded forces is order insensitive · ff7f1035
  Peter Eastman authored Oct 19, 2012
  
  ff7f1035
18 Oct, 2012 1 commit
- Assorted cleanup and bug fixes · 1de2e2a0
  Peter Eastman authored Oct 18, 2012
  
  1de2e2a0
17 Oct, 2012 2 commits
- Finished implementing double precision for OpenCL · 59f8cf87
  Peter Eastman authored Oct 17, 2012
  
  59f8cf87
- Continuing to implement double precision in OpenCL · c8dac206
  Peter Eastman authored Oct 17, 2012
  
  c8dac206
16 Oct, 2012 2 commits
- Bug fix · 34938e2c
  Peter Eastman authored Oct 16, 2012
  
  34938e2c
- Beginnings of mixed/double precision support in OpenCL · 8d6a2a01
  Peter Eastman authored Oct 16, 2012
  
  8d6a2a01
12 Oct, 2012 2 commits
- Fixed compilation errors and warnings on Windows · 9fd73edf
  Peter Eastman authored Oct 12, 2012
  
  9fd73edf
- Flush the queue after each time step on Windows to reduce UI lag. · 65c389ff
  Peter Eastman authored Oct 12, 2012
  
  65c389ff
10 Oct, 2012 1 commit

OpenCLArray is no longer templatized and doesn't provide a host buffer. This... · 1107aa83

Peter Eastman authored Oct 10, 2012

OpenCLArray is no longer templatized and doesn't provide a host buffer.  This is in preparation for adding mixed/double precision support.

1107aa83

07 Sep, 2012 1 commit
- fixed sigmaEpsilon padding errors. Gets rid of computeNonbonded cuda-memcheck errors · 9fffe6da
  Yutong Zhao authored Sep 07, 2012
  
  9fffe6da
28 Aug, 2012 1 commit
- Fixed errors on Intel OpenCL · b8e15090
  Peter Eastman authored Aug 28, 2012
  
  b8e15090
27 Jun, 2012 1 commit
- Minor cleanup and bug fixes · 0a850783
  Peter Eastman authored Jun 27, 2012
  
  0a850783
23 Jun, 2012 1 commit
- Fixed errors under Intel OpenCL · f0454a4b
  Peter Eastman authored Jun 23, 2012
  
  f0454a4b
11 Jun, 2012 2 commits
- NonbondedForce::updateParametersInContext() is more tolerant about what... · 72d6b6a9
  Peter Eastman authored Jun 11, 2012
```
NonbondedForce::updateParametersInContext() is more tolerant about what changes to exceptions it allows
```
  72d6b6a9
- Fixed error when multiple CustomCompoundBondForces are added to a system · e09b1088
  Peter Eastman authored Jun 11, 2012
  
  e09b1088
07 Jun, 2012 1 commit
- Implemented updateParametersInContext() for five more Force classes · 99cebd08
  Peter Eastman authored Jun 07, 2012
  
  99cebd08
06 Jun, 2012 3 commits
- Implemented updateParametersInContext() for seven more Force classes · 4bc723ab
  Peter Eastman authored Jun 06, 2012
  
  4bc723ab
- Implemented updateParametersInContext() for GBSAOBCForce · b5e2a951
  Peter Eastman authored Jun 06, 2012
  
  b5e2a951
- Minor cleanup · c2dfdb5f
  Peter Eastman authored Jun 06, 2012
  
  c2dfdb5f
04 Jun, 2012 1 commit
- Fixed various bugs that caused energy to come out wrong after per-particle parameters were changed · 18501459
  Peter Eastman authored Jun 04, 2012
  
  18501459
01 Jun, 2012 1 commit
- Moved Hilbert curve code into libraries directory · 233c6a70
  Peter Eastman authored Jun 01, 2012
  
  233c6a70
31 May, 2012 1 commit
- Implemented updateParametersInContext() for NonbondedForce · 59b0c5fa
  Peter Eastman authored May 31, 2012
  
  59b0c5fa
25 May, 2012 2 commits
- Reduced duplicated code in bonded forces · cb1c6c5d
  Peter Eastman authored May 25, 2012
  
  cb1c6c5d
- Fixed error using PME on CPU · ba3cefdc
  Peter Eastman authored May 25, 2012
  
  ba3cefdc
24 May, 2012 1 commit
- Optimizations to CustomGBForce · 0c4af105
  Peter Eastman authored May 24, 2012
  
  0c4af105
23 May, 2012 1 commit
- Fixed a potential race condition in PME · e7a00c6a
  Peter Eastman authored May 23, 2012
  
  e7a00c6a
11 May, 2012 3 commits
- Fixed bugs in checkpointing · fcdba25c
  Peter Eastman authored May 11, 2012
  
  fcdba25c
- Bug fix to checkpointing · 106dc571
  Peter Eastman authored May 11, 2012
  
  106dc571
- Implemented checkpointing · 188bf2ef
  Peter Eastman authored May 11, 2012
  
  188bf2ef
09 May, 2012 2 commits
- Minor code cleanup · fee4e4dd
  Peter Eastman authored May 09, 2012
  
  fee4e4dd
- Created OpenCL implementation of CustomCompoundBondForce · 0e6cbcea
  Peter Eastman authored May 09, 2012
  
  0e6cbcea
07 May, 2012 3 commits
- A cl::Context only specifies the particular device it is using, not all devices · a4673043
  Peter Eastman authored May 07, 2012
  
  a4673043
- Implemented delta() for custom expressions · 94a31b8d
  Peter Eastman authored May 07, 2012
  
  94a31b8d
- CustomIntegrator can depend on the energy of a force group · b69f0c15
  Peter Eastman authored May 07, 2012
  
  b69f0c15
25 Apr, 2012 1 commit
- Fixed an error that made velocity constraints excessively slow · 43443ca4
  Peter Eastman authored Apr 25, 2012
  
  43443ca4
10 Apr, 2012 1 commit
- Fixed bug in CustomIntegrator computing global parameters · 90a5e2db
  Peter Eastman authored Apr 10, 2012
  
  90a5e2db
05 Apr, 2012 1 commit
- Disable using AMD GPUs on OS X · 50096c2b
  Peter Eastman authored Apr 05, 2012
  
  50096c2b
20 Mar, 2012 1 commit
- Tolerate round-off error when checking the box size against the cutoff distance · 56766760
  Peter Eastman authored Mar 20, 2012
  
  56766760
19 Mar, 2012 1 commit

Variable time step integrators correctly report the size of the last step... · 761b4bbf

Peter Eastman authored Mar 19, 2012

Variable time step integrators correctly report the size of the last step taken.  Also improved accuracy of integration unit tests.

761b4bbf

15 Mar, 2012 1 commit
- NonbondedForce sometimes included energy terms that weren't appropriate to the... · 1dffa999
  Peter Eastman authored Mar 15, 2012
```
NonbondedForce sometimes included energy terms that weren't appropriate to the specified force groups
```
  1dffa999