Commits · dc4d96fa909acd046adf7b8e6ca23760ecb627a1 · tsoc / openmm

26 Feb, 2011 2 commits
- Cleaning up Python wrappers · dc4d96fa
  Peter Eastman authored Feb 26, 2011
  
  dc4d96fa
- 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 3 commits
- Fix for gcc 4.4 -- removed sprintf() · ccbdeddc
  Mark Friedrichs authored Feb 22, 2011
  
  ccbdeddc
- Added const to signature for input vectors · 8b2fd81f
  Mark Friedrichs authored Feb 22, 2011
  
  8b2fd81f
- Added const to signature for input vectors · 675d1c10
  Mark Friedrichs authored Feb 22, 2011
  
  675d1c10
18 Feb, 2011 1 commit

Fixed Linux compilation error. Since dlopen() doesn't support RTLD_FIRST on... · e34f0b33

Peter Eastman authored Feb 18, 2011

Fixed Linux compilation error.  Since dlopen() doesn't support RTLD_FIRST on Linux, both plugin initializer functions are now mandatory.

e34f0b33

16 Feb, 2011 2 commits
- Refinement of Out-of-plane-bend angle calculation · bfb36258
  Mark Friedrichs authored Feb 16, 2011
  
  bfb36258
- OutOfPlaneBend force fix · b77ab693
  Mark Friedrichs authored Feb 16, 2011
  
  b77ab693
15 Feb, 2011 1 commit
- Minor bug fix for kCalculateAmoebaCudaElectrostatic · 25ce1664
  Mark Friedrichs authored Feb 15, 2011
```
Modified cudaLoadCudaFloatArray() call
Minor optimizations
```
  25ce1664
11 Feb, 2011 2 commits
- Fix for PME energy · 45cc7932
  Mark Friedrichs authored Feb 11, 2011
  
  45cc7932
- PME fixes · 0fe5c905
  Mark Friedrichs authored Feb 11, 2011
```
Converted CUDAStream SysStream[0] and DevStream[0] references to SysData & Devdata
```
  0fe5c905
07 Feb, 2011 1 commit
- Fixed a bug that caused platforms to be registered twice if another plugin linked to them · ffcf55d9
  Peter Eastman authored Feb 07, 2011
  
  ffcf55d9
04 Feb, 2011 2 commits
- Began updating manual for 3.0 · 5b5ddfbf
  Peter Eastman authored Feb 04, 2011
  
  5b5ddfbf
- Initialize the positions and velocities of padding atoms to avoid the possibility of NaNs. · cd1223df
  Peter Eastman authored Feb 04, 2011
  
  cd1223df
03 Feb, 2011 1 commit
- Eliminated the potential for initialization order problems · b3ee3b69
  Peter Eastman authored Feb 03, 2011
  
  b3ee3b69
02 Feb, 2011 2 commits
- Thread count for kReduceObcGbsaBornForces_kernel/kReduceGbviBornForces_kernel... · 00874c4a
  Mark Friedrichs authored Feb 02, 2011
```
Thread count for kReduceObcGbsaBornForces_kernel/kReduceGbviBornForces_kernel were too low for some systems/boards
```
  00874c4a
- Modified OpenMMSerialization lib names for different OSs · a3b1009a
  Mark Friedrichs authored Feb 02, 2011
  
  a3b1009a
01 Feb, 2011 3 commits
- Fixed bug on AMD processors · b2c28984
  Peter Eastman authored Feb 01, 2011
  
  b2c28984
- Test case was crashing if the neighbor list needed to be resized · 6f4944e0
  Peter Eastman authored Feb 01, 2011
  
  6f4944e0
- Bug fix on AMD GPUs. · 3ec0d906
  Peter Eastman authored Feb 01, 2011
  
  3ec0d906
31 Jan, 2011 3 commits
- Fix for GbsaObc Born force w/ cutoffs · 9294047f
  Mark Friedrichs authored Jan 31, 2011
  
  9294047f
- Simplified constraint code. In the process, this fixed a bug that caused... · b9b7b40d
  Peter Eastman authored Jan 31, 2011
```
Simplified constraint code.  In the process, this fixed a bug that caused bubbles to appear in water when running on Fermi GPUs.
```
  b9b7b40d
- Fix for Born force calculation when cutoffs are applied · a161d091
  Mark Friedrichs authored Jan 31, 2011
  
  a161d091
26 Jan, 2011 4 commits
- Signs on torque for ZBisect inverted · e772c611
  Mark Friedrichs authored Jan 26, 2011
  
  e772c611
- Removed System from header file for AmoebaOpenMM; overlapped w/ one from OpenMM · 1c094341
  Mark Friedrichs authored Jan 26, 2011
  
  1c094341
- Sign reversed on WcaDispersionForce forces; removed logging from MultipoleForce · 80a1d9e0
  Mark Friedrichs authored Jan 26, 2011
  
  80a1d9e0
- Fix to chirla check kernel · dcf76e73
  Mark Friedrichs authored Jan 26, 2011
  
  dcf76e73
25 Jan, 2011 2 commits
- Fixed problem w/ setting of bond offsets · b089a3a1
  Mark Friedrichs authored Jan 25, 2011
  
  b089a3a1
- Sign on torques was reversed for z-then-x · a82b4e4a
  Mark Friedrichs authored Jan 25, 2011
  
  a82b4e4a
21 Jan, 2011 1 commit
- Fix for torsion torsion initialization · 475f52cb
  Mark Friedrichs authored Jan 21, 2011
  
  475f52cb
20 Jan, 2011 3 commits
- Mods to output of forces · 0d1d98ce
  Mark Friedrichs authored Jan 20, 2011
  
  0d1d98ce
- Warp/non-warp calls were reversed in kCalculateAmoebaCudaKirkwood · 132a94bc
  Mark Friedrichs authored Jan 20, 2011
  
  132a94bc
- Fixed compilation error · 07f8d5ce
  Peter Eastman authored Jan 20, 2011
  
  07f8d5ce
19 Jan, 2011 1 commit
- Fix for Linux debug build · dfe1f798
  Mark Friedrichs authored Jan 19, 2011
  
  dfe1f798
18 Jan, 2011 3 commits
- Fixed problems on compute level 1.2 GPUs · 81cd9f5f
  Peter Eastman authored Jan 18, 2011
  
  81cd9f5f
- Remove install of SerializationNode.h SerializationProxy.h XmlSerializer.h · ff5f5d5a
  Mark Friedrichs authored Jan 18, 2011
```
Moved installation of lib file to plugin directory 
```
  ff5f5d5a
- Remove install of SerializationNode.h SerializationProxy.h and XmlSerializer.h · 5499544f
  Mark Friedrichs authored Jan 18, 2011
```
Move install of AmoebaSerialization lib to plugin directory
```
  5499544f
14 Jan, 2011 1 commit
- Mods to get compilation on Windows · 56e573e7
  Mark Friedrichs authored Jan 14, 2011
  
  56e573e7
13 Jan, 2011 1 commit
- Fixed bug in evaluating tabulated functions · 3c16ceff
  Peter Eastman authored Jan 13, 2011
  
  3c16ceff