Commits · 644cc275ab5a549a82cce4d49680da729c2051e6 · tsoc / openmm

21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
17 Apr, 2009 1 commit
- CUDA platform would fail if you had a GBSAOBCForce but no NonbondedForce. · b2c89feb
  Peter Eastman authored Apr 17, 2009
  
  b2c89feb
16 Apr, 2009 1 commit
- Optimized LINCS by merging kernels and implementing a syncAllThreads() function. · afd06645
  Peter Eastman authored Apr 16, 2009
  
  afd06645
10 Apr, 2009 1 commit
- Improved LINCS performance by eliminating some uncoalesced memory access · 95d1c382
  Peter Eastman authored Apr 10, 2009
  
  95d1c382
09 Apr, 2009 1 commit
- Fixed several bugs in LINCS · 04b90973
  Peter Eastman authored Apr 09, 2009
  
  04b90973
08 Apr, 2009 3 commits
- Fixed thread synchronization problem in LINCS kernel · 8a83a2fb
  Peter Eastman authored Apr 08, 2009
  
  8a83a2fb
- Enhancements to CUDAStream to reduce the risk of bugs and make debugging easier · 306d99e8
  Peter Eastman authored Apr 08, 2009
  
  306d99e8
- Continuing implementation of LINCS for Cuda platform · 968cb132
  Peter Eastman authored Apr 08, 2009
  
  968cb132
07 Apr, 2009 1 commit
- Real space Ewald (direct summation) is now in kCalculateCDLJForces.h,... · 1b9ab82b
  Rossen Apostolov authored Apr 07, 2009
```
Real space Ewald (direct summation) is now in kCalculateCDLJForces.h, reciprocal summation is done in a separate kernel
```
  1b9ab82b
06 Apr, 2009 1 commit
- Implemented the Ewald summation method in the reference platform. Preliminary... · d3b512ad
  Rossen Apostolov authored Apr 06, 2009
```
Implemented the Ewald summation method in the reference platform. Preliminary cuda prototype is included.
```
  d3b512ad
02 Apr, 2009 1 commit
- Converted lots of ints to unsigned ints (might help performance a little by avoiding conversions) · 5b017677
  Peter Eastman authored Apr 02, 2009
  
  5b017677
01 Apr, 2009 1 commit
- Added file that got missed in last commit · e85347d1
  Peter Eastman authored Apr 01, 2009
  
  e85347d1
31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
24 Mar, 2009 2 commits
- Keep atom coordinates in the first periodic cell to maintain precision. · 389563ef
  Peter Eastman authored Mar 24, 2009
  
  389563ef
- Deleted lots of obsolete code. · ff0a69f9
  Peter Eastman authored Mar 24, 2009
  
  ff0a69f9
10 Mar, 2009 1 commit
- Implemented finer grained neighbor list. Also various minor optimizations. · e04283fe
  Peter Eastman authored Mar 10, 2009
  
  e04283fe
06 Mar, 2009 1 commit
- Use Hilbert curve for reordering water molecules · 56d7ed02
  Peter Eastman authored Mar 06, 2009
  
  56d7ed02
28 Feb, 2009 1 commit
- Reduced memory use for random numbers. Also reduced the frequency of reordering water molecules. · aeb2f4ac
  Peter Eastman authored Feb 28, 2009
  
  aeb2f4ac
27 Feb, 2009 2 commits
- Reduced memory use for exclusions. Also deleted some obsolete files. · 8055a541
  Peter Eastman authored Feb 27, 2009
  
  8055a541
- Minor speed optimization to neighbor list building · b98859ec
  Peter Eastman authored Feb 27, 2009
  
  b98859ec
20 Feb, 2009 3 commits
- Implemented setting random seed for reference platform, as well as adding it... · eb0bba22
  Peter Eastman authored Feb 20, 2009
```
Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.
```
  eb0bba22
- Added other files that somehow got ommitted from earlier checkin · 630bdd40
  Peter Eastman authored Feb 20, 2009
  
  630bdd40
- Added missing header file · 9b7a9f65
  Peter Eastman authored Feb 20, 2009
  
  9b7a9f65
19 Feb, 2009 1 commit
- Checking in Cuda implementation of explicit solvent · 1010df33
  Peter Eastman authored Feb 19, 2009
  
  1010df33
27 Jan, 2009 1 commit
- Checked in Cuda code · 38f6c8f8
  Peter Eastman authored Jan 27, 2009
  
  38f6c8f8