Commits · b51a1b3c7b546de4c209dad46ccc99e24e9b71ad · tsoc / openmm

23 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · b51a1b3c
  Peter Eastman authored Apr 23, 2011
  
  b51a1b3c
22 Apr, 2011 3 commits
- Continuing to implement multi-GPU support · 5a89d510
  Peter Eastman authored Apr 22, 2011
  
  5a89d510
- Removed padding to eliminate shared bank conflicts · 648d38d9
  Mark Friedrichs authored Apr 22, 2011
  
  648d38d9
- Checked in a file that got missed in the last checkin · c8526dfc
  Peter Eastman authored Apr 22, 2011
  
  c8526dfc
21 Apr, 2011 2 commits
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
- Modified thread count for several kernels · b54d7c63
  Mark Friedrichs authored Apr 21, 2011
  
  b54d7c63
20 Apr, 2011 1 commit
- Direct space optimizations · 8a331fb9
  Mark Friedrichs authored Apr 20, 2011
  
  8a331fb9
13 Apr, 2011 3 commits
- Minor optimizations · af4d503a
  Mark Friedrichs authored Apr 13, 2011
  
  af4d503a
- Remove __mul24 calls · d4559528
  Mark Friedrichs authored Apr 13, 2011
  
  d4559528
- Added missing export for Windows · 82a90aac
  Mark Friedrichs authored Apr 13, 2011
  
  82a90aac
08 Apr, 2011 6 commits
- Debug guard around call to kReduceForces · 64b67556
  Mark Friedrichs authored Apr 08, 2011
  
  64b67556
- 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
- Added $ENV{AMDAPPSDKROOT} to the list of locations to look for OpenCL. · 959f2fab
  Peter Eastman authored Apr 08, 2011
  
  959f2fab
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 4 commits
- Updated version number and date in README file · 80c4976e
  Peter Eastman authored Mar 31, 2011
  
  80c4976e
- 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 6 commits
- Updated Doxyfile to document XmlSerializer · ea788347
  Peter Eastman authored Mar 30, 2011
  
  ea788347
- Created PDF versions of Users Guide and Developer Guide · 23291759
  Peter Eastman authored Mar 30, 2011
  
  23291759
- Added message regarding issue w/ disulfide bonds · 1bdd330d
  Mark Friedrichs authored Mar 30, 2011
  
  1bdd330d
- Update to Amoeba chapter · 24214023
  Mark Friedrichs authored Mar 30, 2011
  
  24214023
- Update to Amoeba chapter · 6dd461c2
  Mark Friedrichs authored Mar 30, 2011
  
  6dd461c2
- Amoeba plugin update · ee3a1104
  Mark Friedrichs authored Mar 30, 2011
  
  ee3a1104
29 Mar, 2011 7 commits
- Update Amoeba chapter w/ benchmarks · 2e3c5dc9
  Mark Friedrichs authored Mar 29, 2011
  
  2e3c5dc9
- 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
- Minor updates to the manual · 5ecd467a
  Peter Eastman authored Mar 29, 2011
  
  5ecd467a
- Turn off debugging code · 09ae36bd
  Mark Friedrichs authored Mar 29, 2011
  
  09ae36bd
28 Mar, 2011 1 commit
- Thread block sizes were initialized incorrectly · 0dd63d02
  Peter Eastman authored Mar 28, 2011
  
  0dd63d02
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