Commits · 626a504d0f12f3f7df898da49a1a6effb1e799ce · tsoc / openmm

28 Feb, 2011 4 commits
- 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 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
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
02 Feb, 2011 1 commit
- Modified OpenMMSerialization lib names for different OSs · a3b1009a
  Mark Friedrichs authored Feb 02, 2011
  
  a3b1009a
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 2 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
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
- Adding wrappers · a6370f58
  Mark Friedrichs authored Jan 13, 2011
  
  a6370f58
11 Jan, 2011 1 commit
- edit/add AMOEBA serialization proxies · 1877eb67
  Mark Friedrichs authored Jan 11, 2011
  
  1877eb67
10 Jan, 2011 3 commits
- Rename file · 67971bf4
  Mark Friedrichs authored Jan 10, 2011
  
  67971bf4
- More serialization proxies · cf3d54fc
  Mark Friedrichs authored Jan 10, 2011
  
  cf3d54fc
- More serialization proxies and associated tests · 3c3df452
  Mark Friedrichs authored Jan 10, 2011
  
  3c3df452
07 Jan, 2011 2 commits
- Initial serialization proxies for Amoeba · 217b45d3
  Mark Friedrichs authored Jan 07, 2011
  
  217b45d3
- Renamed OpenMMAmoeba,h to AmoebaOpenMM for consistency w/ other plugin · b90e80ff
  Mark Friedrichs authored Jan 07, 2011
  
  b90e80ff
06 Jan, 2011 1 commit
- Set enum values -- needed for pyopenmm(?) · 8928a337
  Mark Friedrichs authored Jan 06, 2011
  
  8928a337
05 Jan, 2011 2 commits
- Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be... · 4c87fcab
  Mark Friedrichs authored Jan 05, 2011
```
Moved AMOEBA include files to plugins/amoeba/openmmapi/include/openmm to be consistent w/ outlay other plugins, ...
```
  4c87fcab
- Fixed bug in direct PME · 4d763c4d
  Mark Friedrichs authored Jan 05, 2011
```
Added diagnostics for handling reorder of atoms
```
  4d763c4d
04 Jan, 2011 1 commit
- Updated Amoeba plugin based on refactoring of reference platform · 93900ab2
  Peter Eastman authored Jan 04, 2011
  
  93900ab2