Commits · 72f2205ab2c4bce851dc1ff46cded0cdc84bfa39 · tsoc / openmm · GitLab

28 Aug, 2009 3 commits
- Completed preliminary CUDA implementation of PME · 72f2205a
  Peter Eastman authored Aug 28, 2009
  
  72f2205a
- Removed CUDPP files and references from OpenMM head (previous commit was for OpenMMFreeEnergy) · 256dd5ef
  Imran Haque authored Aug 28, 2009
  
  256dd5ef
- Implemented PME reciprocal convolution kernel · 22c28d6b
  Peter Eastman authored Aug 28, 2009
  
  22c28d6b
27 Aug, 2009 2 commits
- Preliminary version of PME charge spreading kernel · 5ac57f16
  Peter Eastman authored Aug 27, 2009
  
  5ac57f16
- Beginnings of the CUDA implementation of PME · a4b2a13b
  Peter Eastman authored Aug 27, 2009
  
  a4b2a13b
26 Aug, 2009 3 commits
- Use texture cache for tabulated functions · e009228a
  Peter Eastman authored Aug 26, 2009
  
  e009228a
- Minor bug fix · 8689a536
  Peter Eastman authored Aug 26, 2009
  
  8689a536
- Replaced CUDPP with Imran's code for stream compaction. · 8d206abc
  Peter Eastman authored Aug 26, 2009
  
  8d206abc
25 Aug, 2009 1 commit
- Fixed build errors on GCC 4.3 · cc5c1492
  Peter Eastman authored Aug 25, 2009
  
  cc5c1492
24 Aug, 2009 2 commits
- Merge up changes from PreviewRelease4 branch, revisions 1600:1621 · 31cd86f8
  Christopher Bruns authored Aug 24, 2009
  
  31cd86f8
- Particle locations reported through the API do not get moved into the first periodic box · e7813ee0
  Peter Eastman authored Aug 24, 2009
  
  e7813ee0
21 Aug, 2009 3 commits
- Added lots of Doxygen comments · 5e133f35
  Peter Eastman authored Aug 21, 2009
  
  5e133f35
- Implemented tabulated functions in CUDA platform · 73c0da63
  Peter Eastman authored Aug 21, 2009
  
  73c0da63
- Removed reference to OpenMMContext · 2eff991e
  Mark Friedrichs authored Aug 21, 2009
```
Check dot product between Reference and Cuda forces 
Redid output
```
  2eff991e
20 Aug, 2009 5 commits
- Chris's mods for 64-bit Linux · 9d008d0d
  Mark Friedrichs authored Aug 20, 2009
  
  9d008d0d
- Add Linux 64-bit cudpp libs · 65571e40
  Mark Friedrichs authored Aug 20, 2009
  
  65571e40
- Mods required for Windows · 0a930401
  Mark Friedrichs authored Aug 20, 2009
  
  0a930401
- Implemented tabulated functions in reference platform · 8f0e6d3c
  Peter Eastman authored Aug 20, 2009
  
  8f0e6d3c
- OBC parameters printed on request · 947455cd
  Mark Friedrichs authored Aug 20, 2009
  
  947455cd
19 Aug, 2009 21 commits
- Leave unbuilt C examples in the installation. · 268fdbe2
  Michael Sherman authored Aug 19, 2009
  
  268fdbe2
- Don't build C examples if we're not building wrappers. · 924dee79
  Michael Sherman authored Aug 19, 2009
  
  924dee79
- Missing argument for TestCudaUsingParameterFile test · 6bfd7ab8
  Mark Friedrichs authored Aug 19, 2009
  
  6bfd7ab8
- Added tests based on parameter files · b04bb22c
  Mark Friedrichs authored Aug 19, 2009
  
  b04bb22c
- Fix examples Makefile for Linux. · 1bf94ae2
  Michael Sherman authored Aug 19, 2009
  
  1bf94ae2
- Fixed error where GCCXML_PATH was hard coded instead of actually searching for a program. · 74aff2d6
  Christopher Bruns authored Aug 19, 2009
```
Added GCCXML_EXTRA_ARGS variable to work around brittle gccxml incorporation.
```
  74aff2d6
- Fix memory leak in C examples. · ce3f7427
  Michael Sherman authored Aug 19, 2009
  
  ce3f7427
- Move static methods outside extern "C" so they can use C++ types. · aac28a18
  Michael Sherman authored Aug 19, 2009
  
  aac28a18
- Remove trailing blanks from Fortran strings. · 576751ba
  Michael Sherman authored Aug 19, 2009
  
  576751ba
- Corrected CMakelists.txt error; GCCXML_PATH actually needs to be a FILEPATH, not a PATH · 3a132503
  Christopher Bruns authored Aug 19, 2009
```
Better search for svnversion.exe on Windows
```
  3a132503
- Updated documentation for preview release 4 · 2e1f2f65
  Peter Eastman authored Aug 19, 2009
  
  2e1f2f65
- Fixed a bug in the cmake script for generating API wrappers · 36a95356
  Peter Eastman authored Aug 19, 2009
  
  36a95356
- Fixed a bug in identifying molecules · 64be7b68
  Peter Eastman authored Aug 19, 2009
  
  64be7b68
- Fix NMakefile for examples. · 38d2bc15
  Michael Sherman authored Aug 19, 2009
  
  38d2bc15
- Fixed Fortran Visual Studio project file to grab module file from OpenMM include directory. · dd9f905a
  Michael Sherman authored Aug 19, 2009
  
  dd9f905a
- Fix bug in Fortran module generation. · 2364b7f3
  Michael Sherman authored Aug 19, 2009
  
  2364b7f3
- C programs no longer need a separate wrapper library to link with. · 5fd032eb
  Michael Sherman authored Aug 19, 2009
  
  5fd032eb
- Minor updates to powerpoint presentation on examples. · 3cfcd746
  Michael Sherman authored Aug 19, 2009
  
  3cfcd746
- Minor changes to CMakeLists.txt files for examples. · 9a985f07
  Michael Sherman authored Aug 19, 2009
  
  9a985f07
- Fix double-to-float warnings. · 07ba4d9b
  Michael Sherman authored Aug 19, 2009
  
  07ba4d9b
- Fix to use uniform file name capitalization so it will work in Linux. · 0794ef42
  Michael Sherman authored Aug 19, 2009
  
  0794ef42