Commits · db6748744952f727ca8cd28a4c583d5dc5af5b8c · tsoc / openmm

05 Sep, 2014 1 commit
- Added a missing return statement · 4c815965
  peastman authored Sep 05, 2014
  
  4c815965
18 Jul, 2014 1 commit
- Fixed error in DrudeForce::updateParametersInContext() · 0fc61dbf
  peastman authored Jul 17, 2014
  
  0fc61dbf
14 Jul, 2014 2 commits
- Fixed some incorrect test cases. · 1aa01b1d
  peastman authored Jul 14, 2014
  
  1aa01b1d
- Changed definition of polarizability to match CHARMM · e1e1e12d
  peastman authored Jul 14, 2014
  
  e1e1e12d
11 Jun, 2014 1 commit
- Fixed an error in the computation of Drude screening force · 1893e517
  peastman authored Jun 11, 2014
  
  1893e517
20 May, 2014 2 commits
- fix capitalization · 98d61e10
  Robert McGibbon authored May 20, 2014
  
  98d61e10
- Seed the rng from urandom · 4b1c362c
  Robert McGibbon authored May 19, 2014
  
  4b1c362c
01 May, 2014 1 commit
- DrudeForce was ignoring force groups (see bug 2012) · 11ef1e01
  peastman authored May 01, 2014
  
  11ef1e01
11 Apr, 2014 1 commit
- Removed _d suffix from debug libraries · 1cb3190e
  peastman authored Apr 11, 2014
  
  1cb3190e
28 Jan, 2014 1 commit
- Reference Amoeba and Drude static libraries can be built · f690c729
  Yutong Zhao authored Jan 28, 2014
  
  f690c729
14 Jan, 2014 1 commit
- Detect Visual Studio in a way that works correctly with NMake files · 19dd114e
  peastman authored Jan 13, 2014
  
  19dd114e
09 Jan, 2014 1 commit
- Fixed additional errors on Windows · 76d592d6
  Peter Eastman authored Jan 09, 2014
  
  76d592d6
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
13 Dec, 2013 1 commit
- Fixed compilation errors in debug mode · 1049add2
  peastman authored Dec 13, 2013
  
  1049add2
12 Dec, 2013 1 commit

Plugins work with CPU platform. This involved separating the reference... · ef830210

peastman authored Dec 12, 2013

Plugins work with CPU platform.  This involved separating the reference implementations of plugins into their own libraries.

ef830210

06 Dec, 2013 1 commit
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
05 Dec, 2013 1 commit
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
26 Nov, 2013 1 commit
- Include serialization classes directly in main library · 537912e4
  peastman authored Nov 26, 2013
  
  537912e4
13 Nov, 2013 1 commit
- Fixed errors on OS X 10.9: link against libc++ instead of libstdc++ · c1f64b3f
  peastman authored Nov 13, 2013
  
  c1f64b3f
07 Nov, 2013 1 commit
- Fixed compilation errors on OS X 10.9 · 9a26412b
  peastman authored Nov 07, 2013
  
  9a26412b
08 Oct, 2013 1 commit
- Lots of code cleanup related to constraints in the reference platform · e68df534
  peastman authored Oct 08, 2013
  
  e68df534
07 Oct, 2013 1 commit
- Created reference implementation of SETTLE · bb8c2c6f
  peastman authored Oct 07, 2013
  
  bb8c2c6f
01 Oct, 2013 1 commit
- Ignore constraints that connect two massless particles (feature request 1915) · 803faa81
  peastman authored Oct 01, 2013
  
  803faa81
15 Aug, 2013 1 commit
- Fixed crash due to a kernel's arguments having changed · 01622931
  peastman authored Aug 15, 2013
  
  01622931
02 Aug, 2013 1 commit
- Fixed compilation errors on compilers that do not enable SSE by default · c04bc137
  peastman authored Aug 02, 2013
  
  c04bc137
17 Jul, 2013 1 commit
- Fixed compilation problems on Windows · 8d9ef563
  peastman authored Jul 16, 2013
  
  8d9ef563
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

13 Jun, 2013 1 commit
- Remove hardcoded osx sysroot · 960d2010
  Justin MacCallum authored Jun 12, 2013
  
  960d2010
28 May, 2013 1 commit

Integrators control when atom reordering gets done, instead of having it... · 18f78c1e

peastman authored May 28, 2013

Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated.  This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.

18f78c1e

24 May, 2013 4 commits
- Added DrudeSCFIntegrator to the Python wrappers · f8f80693
  peastman authored May 24, 2013
  
  f8f80693
- Implemented updateParametersInContext() for DrudeForce · 112b1993
  peastman authored May 24, 2013
  
  112b1993
- Created OpenCL implementation of DrudeSCFIntegrator · 16bd6601
  peastman authored May 24, 2013
  
  16bd6601
- Created CUDA implementation of DrudeSCFIntegrator · 8f5c9840
  peastman authored May 23, 2013
  
  8f5c9840
23 May, 2013 1 commit
- Created DrudeSCFIntegrator, including reference implementation · 7cbb8a01
  peastman authored May 22, 2013
  
  7cbb8a01
22 May, 2013 1 commit
- Fixed errors in DrudeLangevinIntegrator in mixed or double precision mode · 6a7e5591
  peastman authored May 22, 2013
  
  6a7e5591
21 May, 2013 1 commit
- Implemented serialization for Drude plugin · 6185317a
  peastman authored May 21, 2013
  
  6185317a
17 May, 2013 1 commit
- Fixed incorrect Windows export · c25b90c0
  Peter Eastman authored May 17, 2013
  
  c25b90c0
16 May, 2013 1 commit
- Created OpenCL implementation of DrudeForce and DrudeLangevinIntegrator · f8c98f32
  Peter Eastman authored May 16, 2013
  
  f8c98f32
15 May, 2013 2 commits
- Created CUDA implementation of DrudeForce and DrudeLangevinIntegrator · 09a8475d
  Peter Eastman authored May 15, 2013
  
  09a8475d
- Bug fixes to reference implementation of DrudeLangevinIntegrator · c7711f74
  Peter Eastman authored May 15, 2013
  
  c7711f74