Commits · b256555e37d04fba0d43d9ef7c11b2ca39a7f640 · tsoc / openmm

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12 Dec, 2012 1 commit
- Fixed compilation errors on Windows · b256555e
  Peter Eastman authored Dec 12, 2012
  
  b256555e
07 Dec, 2012 1 commit
- Removed unnecessary calls to load plugins that produced errors · dde7b14b
  Peter Eastman authored Dec 07, 2012
  
  dde7b14b
06 Dec, 2012 1 commit
- Fixed test failures caused by linking to the same library twice, once... · 26a34a73
  Peter Eastman authored Dec 06, 2012
```
Fixed test failures caused by linking to the same library twice, once statically and once dynamically
```
  26a34a73
16 Nov, 2012 1 commit
- RPMD supports mixed and double precision · cd6af26e
  Peter Eastman authored Nov 16, 2012
  
  cd6af26e
05 Nov, 2012 1 commit
- Created CUDA implementation of RPMD · 05198df6
  Peter Eastman authored Nov 05, 2012
  
  05198df6
30 Oct, 2012 1 commit
- Fixed compilation errors · 4e280d49
  Peter Eastman authored Oct 30, 2012
  
  4e280d49
25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
17 Oct, 2012 1 commit
- Checking in file that got missed in last commit · 97516d42
  Peter Eastman authored Oct 17, 2012
  
  97516d42
12 Oct, 2012 1 commit
- Fixed compilation errors and warnings on Windows · 9fd73edf
  Peter Eastman authored Oct 12, 2012
  
  9fd73edf
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

28 Jun, 2012 2 commits
- Default to not building RPMD-OpenCL if OpenCL could not be found · a42431fd
  Peter Eastman authored Jun 28, 2012
  
  a42431fd
- Fixed more destructor order errors · bcf95386
  Peter Eastman authored Jun 28, 2012
  
  bcf95386
14 May, 2012 1 commit
- Created templatized interface for Kernel, which made a lot of code that invokes kernels cleaner. · b4044e73
  Peter Eastman authored May 14, 2012
  
  b4044e73
11 Apr, 2012 1 commit
- Changed linking instructions to avoid a crash on Linux · 99b0f3bb
  Peter Eastman authored Apr 11, 2012
  
  99b0f3bb
26 Mar, 2012 1 commit
- An attempt at making references between plugins get resolved correctly on OS X · ca9cf05f
  Peter Eastman authored Mar 26, 2012
  
  ca9cf05f
21 Mar, 2012 1 commit
- Added option to RPMDIntegrator.getState() to specify force groups · 90007de2
  Peter Eastman authored Mar 21, 2012
  
  90007de2
15 Feb, 2012 1 commit
- Bug fix · d6a744dd
  Peter Eastman authored Feb 15, 2012
  
  d6a744dd
31 Jan, 2012 2 commits
- Fixed bug when RPMDIntegrator uses more than 32 beads · 6299521b
  Peter Eastman authored Jan 31, 2012
  
  6299521b
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
01 Dec, 2011 1 commit
- Workaround for Nvidia compiler bug where compute level 1.2 processors try to... · b5009324
  Peter Eastman authored Dec 01, 2011
```
Workaround for Nvidia compiler bug where compute level 1.2 processors try to compile double precision code
```
  b5009324
08 Nov, 2011 1 commit
- Throw an exception if RPMDIntegrator is used with constraints · 8217295b
  Peter Eastman authored Nov 08, 2011
  
  8217295b
14 Oct, 2011 1 commit
- Created para-hydrogen test case for RPMD · 4e402990
  Peter Eastman authored Oct 14, 2011
  
  4e402990
13 Oct, 2011 1 commit
- Bug fix to OpenCL RPMD · b7119534
  Peter Eastman authored Oct 13, 2011
  
  b7119534
12 Oct, 2011 1 commit
- Bug fixes to OpenCL RPMD · 49e268f1
  Peter Eastman authored Oct 12, 2011
  
  49e268f1
06 Oct, 2011 1 commit
- Fixed bug in OpenCL RPMD implementation · ab60bff4
  Peter Eastman authored Oct 06, 2011
  
  ab60bff4
30 Sep, 2011 1 commit
- Added enforcePeriodicBox flag to RPMDIntegrator::getState() · e772769e
  Peter Eastman authored Sep 30, 2011
  
  e772769e
27 Sep, 2011 1 commit
- Fixed errors in plugin initializers · c9d448c6
  Peter Eastman authored Sep 27, 2011
  
  c9d448c6
23 Sep, 2011 1 commit
- Bug fixes to RPMD · 465e018f
  Peter Eastman authored Sep 23, 2011
  
  465e018f
20 Sep, 2011 1 commit
- Fixed RPMD test cases · 15ffd4af
  Peter Eastman authored Sep 20, 2011
  
  15ffd4af
18 Aug, 2011 1 commit
- Fixed bugs in OpenCL RPMD · 7f1da383
  Peter Eastman authored Aug 18, 2011
  
  7f1da383
13 Aug, 2011 1 commit
- Created OpenCL implementation of RPMD · a713aabf
  Peter Eastman authored Aug 13, 2011
  
  a713aabf
11 Aug, 2011 1 commit
- Fixed compilation error · f355f568
  Peter Eastman authored Aug 11, 2011
  
  f355f568
04 Aug, 2011 1 commit
- Cleaning up the RPMD code · c67aed53
  Peter Eastman authored Aug 04, 2011
  
  c67aed53
19 Jul, 2011 1 commit
- Converted RPMD plugin to use a velocity verlet type integrator · 01da523c
  Peter Eastman authored Jul 19, 2011
  
  01da523c
17 Jun, 2011 1 commit
- Continuing reference implementation of RPMD · 47e03b07
  Peter Eastman authored Jun 17, 2011
  
  47e03b07
01 Jun, 2011 1 commit
- Initial implementation of RPMD plugin · 18a837c0
  Peter Eastman authored Jun 01, 2011
  
  18a837c0