Commits · be73754babbcb97929b4e58a04540e81ec8f0d15 · tsoc / openmm

"plugins/amoeba/serialization/vscode:/vscode.git/clone" did not exist on "014797f4a19ffd7c39325009d62d88b96a37634e"

08 Apr, 2011 4 commits
- Added cudaMemcpy for initialization of induced dipoles · be73754b
  Mark Friedrichs authored Apr 08, 2011
  
  be73754b
- Removal of several arrays no longer needed · 6bad9d44
  Mark Friedrichs authored Apr 08, 2011
  
  6bad9d44
- Mods associated w/ polarization type parameter · 1beac75d
  Mark Friedrichs authored Apr 08, 2011
  
  1beac75d
- Added support for polarization type='direct' option · b1dc92cc
  Mark Friedrichs authored Apr 08, 2011
```
WCA force now written directly to cuda.force4 array
```
  b1dc92cc
07 Apr, 2011 4 commits
- Torques now mapped to forces only once per force calculation · 1aff5bcb
  Mark Friedrichs authored Apr 07, 2011
  
  1aff5bcb
- Added loop over particles for torque mapping · 101f206d
  Mark Friedrichs authored Apr 07, 2011
  
  101f206d
- Fix for isolated ions · 41abd9fb
  Mark Friedrichs authored Apr 07, 2011
  
  41abd9fb
- Removal of limitation for 'long-range in sequence' covalent bonds · 761d7e17
  Mark Friedrichs authored Apr 07, 2011
```
Reduced memory footprint
```
  761d7e17
31 Mar, 2011 3 commits
- Modify thread setting kCalculateAmoebaCudaMutualInducedField and kCalculateAmoebaCudaFixedEField · c4dae219
  Mark Friedrichs authored Mar 31, 2011
```
Add logging guards 
```
  c4dae219
- Removed logging output · e0741f7b
  Mark Friedrichs authored Mar 31, 2011
  
  e0741f7b
- Added #ifdef guard around output log · a2dc3e23
  Mark Friedrichs authored Mar 31, 2011
  
  a2dc3e23
30 Mar, 2011 1 commit
- Added message regarding issue w/ disulfide bonds · 1bdd330d
  Mark Friedrichs authored Mar 30, 2011
  
  1bdd330d
29 Mar, 2011 5 commits
- Cleanup · 74e2ca75
  Mark Friedrichs authored Mar 29, 2011
  
  74e2ca75
- Turn off logging · fff7aa03
  Mark Friedrichs authored Mar 29, 2011
  
  fff7aa03
- Output changed to 'Done' if test passes to be consistent w/ other OpenMM unit tests · b0cedd8a
  Mark Friedrichs authored Mar 29, 2011
  
  b0cedd8a
- Output changed to 'Done' if test passes to be consistent w/ other OpenMM unit tests · 4614fe27
  Mark Friedrichs authored Mar 29, 2011
  
  4614fe27
- Turn off debugging code · 09ae36bd
  Mark Friedrichs authored Mar 29, 2011
  
  09ae36bd
27 Mar, 2011 2 commits
- Temp fix for Vdw w/ cutoff · 8d3d9af0
  Mark Friedrichs authored Mar 27, 2011
  
  8d3d9af0
- Remove nonbondElectrostaticThreadsPerBlock, energyOutputBuffers · dd218599
  Mark Friedrichs authored Mar 27, 2011
```
Set nonbondThreadsPerBlock to gpu->sim.nonbond_threads_per_block
```
  dd218599
26 Mar, 2011 1 commit
- Added missing registerPlatforms() functions to plugins · c2fd9512
  Peter Eastman authored Mar 26, 2011
  
  c2fd9512
25 Mar, 2011 3 commits
- Fix for particles w/o multipole axis (e.g. ions) · 9298d000
  Mark Friedrichs authored Mar 25, 2011
```
-This line, and th -se below, will be ignored--

M    amoebaCudaGpu.cpp
M    kCalculateAmoebaCudaMapTorques.cu
M    kCalculateAmoebaCudaRotateFrame.cu
```
  9298d000
- Fix for particles w/o multipole axis (e.g. ions) · 29c09776
  Mark Friedrichs authored Mar 25, 2011
```
-This line, and th -se below, will be ignored--

M    AmoebaMultipoleForceImpl.cpp
```
  29c09776
- Fix for particles w/o multipole axis (e.g. ions) · b4fd8519
  Mark Friedrichs authored Mar 25, 2011
  
  b4fd8519
22 Mar, 2011 2 commits
- Fix for wrapper flag · 0b77a95b
  Mark Friedrichs authored Mar 22, 2011
  
  0b77a95b
- Trying to use an Integrator for multiple Contexts produces an exception · 7d4b549d
  Peter Eastman authored Mar 22, 2011
  
  7d4b549d
21 Mar, 2011 1 commit
- Include files for gcc 4.3 · 1e063047
  Mark Friedrichs authored Mar 21, 2011
  
  1e063047
17 Mar, 2011 1 commit
- Further cleanup to reference platform - mostly deleting lots of unnecessary "default return" values · 8086b201
  Peter Eastman authored Mar 17, 2011
  
  8086b201
11 Mar, 2011 1 commit
- Fixed compilation errors on Windows · ee78f1e7
  Peter Eastman authored Mar 11, 2011
  
  ee78f1e7
03 Mar, 2011 1 commit
- Modified number of threeads used in Born sum reduction · c7a1ae89
  Mark Friedrichs authored Mar 03, 2011
  
  c7a1ae89
01 Mar, 2011 1 commit
- Fix for gcc 4.4.x · 05199afa
  Mark Friedrichs authored Mar 01, 2011
  
  05199afa
28 Feb, 2011 7 commits
- Remove reference to backdoor serialization · 0139d9b9
  Mark Friedrichs authored Feb 28, 2011
  
  0139d9b9
- Fix for gcc 4.4.x · 0304bced
  Mark Friedrichs authored Feb 28, 2011
  
  0304bced
- Mods for gcc 4.4.x · ce6b5496
  Mark Friedrichs authored Feb 28, 2011
  
  ce6b5496
- Remove fopen() references · 626a504d
  Mark Friedrichs authored Feb 28, 2011
  
  626a504d
- Removed references to FILE for gcc 4.4.x · 5a02c538
  Mark Friedrichs authored Feb 28, 2011
  
  5a02c538
- Removed fprintf references · b9615e47
  Mark Friedrichs authored Feb 28, 2011
  
  b9615e47
- Remove reference to stderr · a4d0fec5
  Mark Friedrichs authored Feb 28, 2011
  
  a4d0fec5
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6
23 Feb, 2011 1 commit
- Build universal binaries on OS X · abb19052
  Peter Eastman authored Feb 23, 2011
  
  abb19052
22 Feb, 2011 1 commit
- Fix for gcc 4.4 -- removed sprintf() · ccbdeddc
  Mark Friedrichs authored Feb 22, 2011
  
  ccbdeddc