Commits · 9e4cf5795c555ef570eb1a9d986293861f055fed · tsoc / openmm

09 Jan, 2012 1 commit
- Continuing to implement OpenCL CustomIntegrator: added position constraints,... · 9e4cf579
  Peter Eastman authored Jan 09, 2012
```
Continuing to implement OpenCL CustomIntegrator: added position constraints, and use double precision where possible
```
  9e4cf579
06 Jan, 2012 7 commits
- Minor improvements to test script · ce6af5fd
  Peter Eastman authored Jan 06, 2012
  
  ce6af5fd
- Continuing implementation of OpenCL CustomIntegrator · dc8625a0
  Peter Eastman authored Jan 06, 2012
  
  dc8625a0
- Replaced exit() with exceptions · 36f6f9e6
  Mark Friedrichs authored Jan 06, 2012
  
  36f6f9e6
- Fixed bug in testInstallation script · 591c5f92
  Peter Eastman authored Jan 06, 2012
  
  591c5f92
- Created testInstallation.py script · 7dfc3aea
  Peter Eastman authored Jan 06, 2012
  
  7dfc3aea
- Minor fixes, added discussion of testInstallation.py script · 9c39f46e
  Peter Eastman authored Jan 06, 2012
  
  9c39f46e
- Beginnings of OpenCL implementation of CustomIntegrator · c7c13602
  Peter Eastman authored Jan 06, 2012
  
  c7c13602
05 Jan, 2012 3 commits
- Edits based on Joy's comments · b66c5425
  Mark Friedrichs authored Jan 05, 2012
  
  b66c5425
- Updated AMOEBA plug-in section and install instructions for 4.0 · d0aba41f
  Joy Ku authored Jan 05, 2012
  
  d0aba41f
- Updated application guide · b5964c70
  Joy Ku authored Jan 05, 2012
  
  b5964c70
04 Jan, 2012 3 commits
- File was not updated w/ r3053 · fbe20d20
  Mark Friedrichs authored Jan 04, 2012
  
  fbe20d20
- Minor API change to fix problem in wrapper generation · d5213882
  Peter Eastman authored Jan 04, 2012
  
  d5213882
- Python API generator no longer requires xpath library · 133b80e1
  Peter Eastman authored Jan 04, 2012
  
  133b80e1
03 Jan, 2012 3 commits
- Python examples only simulate 10,000 time steps instead of 100,000 · 3eff31f2
  Peter Eastman authored Jan 03, 2012
  
  3eff31f2
- Fixed bug in recognizing incomplete TER records in PDB files · 6c6161cb
  Peter Eastman authored Jan 03, 2012
  
  6c6161cb
- Added methods to set variables by name · 95093334
  Peter Eastman authored Jan 03, 2012
  
  95093334
17 Dec, 2011 1 commit
- Fixed Python API builder to handle CustomIntegrator · 4ca69ecc
  Peter Eastman authored Dec 17, 2011
  
  4ca69ecc
16 Dec, 2011 1 commit
- Implemented velocity constraints for CustomIntegrator · 50154b8b
  Peter Eastman authored Dec 16, 2011
  
  50154b8b
15 Dec, 2011 2 commits
- Created CustomIntegrator, including reference implementation · dfba24ea
  Peter Eastman authored Dec 15, 2011
  
  dfba24ea
- Memory leak fix · e9c5ab17
  Mark Friedrichs authored Dec 15, 2011
  
  e9c5ab17
13 Dec, 2011 3 commits
- Minor updates to installation instructions · d32d2920
  Peter Eastman authored Dec 13, 2011
  
  d32d2920
- Minor cleanup · c178e2c1
  Peter Eastman authored Dec 13, 2011
  
  c178e2c1
- Workarounds for bug in AMD compiler on Mac · 6bea0a80
  Peter Eastman authored Dec 13, 2011
  
  6bea0a80
12 Dec, 2011 4 commits
- Removed test Ewald/PME test for small systems · 8ae2a598
  Mark Friedrichs authored Dec 12, 2011
  
  8ae2a598
- Modified threadsPerBlock for several kernels and added launch_bounds · 77742df8
  Mark Friedrichs authored Dec 12, 2011
  
  77742df8
- Really(?) fixed illegal memory access · dacebfd3
  Peter Eastman authored Dec 12, 2011
  
  dacebfd3
- Fixed illegal memory access · 21804e95
  Peter Eastman authored Dec 12, 2011
  
  21804e95
08 Dec, 2011 2 commits
- Mod to diagnostic output · c306d802
  Mark Friedrichs authored Dec 08, 2011
  
  c306d802
- Fix for case where r=S · fefc9294
  Mark Friedrichs authored Dec 08, 2011
  
  fefc9294
01 Dec, 2011 1 commit
- Workaround for Nvidia compiler bug where compute level 1.2 processors try to... · b5009324
  Peter Eastman authored Dec 01, 2011
```
Workaround for Nvidia compiler bug where compute level 1.2 processors try to compile double precision code
```
  b5009324
29 Nov, 2011 6 commits
- Fixed references for free energy plugin · b79d9e84
  Peter Eastman authored Nov 29, 2011
  
  b79d9e84
- Added John's edit to free energy plugin sectio · e79f0751
  Mark Friedrichs authored Nov 29, 2011
  
  e79f0751
- Final documentation for 4.0 · b39cd4e4
  Peter Eastman authored Nov 29, 2011
  
  b39cd4e4
- John's free energy plugin example · 9f7f9e67
  Mark Friedrichs authored Nov 29, 2011
  
  9f7f9e67
- Removed very small system tests · b5812780
  Mark Friedrichs authored Nov 29, 2011
  
  b5812780
- Workaround for bug on Lion that incorrectly reports the maximum workgroup size · 8e3be827
  Peter Eastman authored Nov 29, 2011
  
  8e3be827
28 Nov, 2011 2 commits
- When creating a System, add a CMMotionRemover by default · 9a1b72ff
  Peter Eastman authored Nov 28, 2011
  
  9a1b72ff
- Switched to a more accurate approximation for erfc() · 2586776f
  Peter Eastman authored Nov 28, 2011
  
  2586776f
24 Nov, 2011 1 commit
- Labute GB/VI parameters · da5196d7
  Mark Friedrichs authored Nov 24, 2011
  
  da5196d7