Commits · dca54ec795e8d085c188269ef3cf834c056ef751 · tsoc / openmm

30 Jun, 2016 2 commits
- Removed unnecessary functions and variables which were redundant/already commented out · 2af7f1b4
  Saurabh Belsare authored Jun 30, 2016
  
  2af7f1b4
- Made AMOEBA API more consistent · 6e79e69e
  peastman authored Jun 30, 2016
  
  6e79e69e
20 Apr, 2016 1 commit
- Reference implementation of periodic boundary conditions for AMOEBA bonded forces · 94fbbe9c
  Peter Eastman authored Apr 20, 2016
  
  94fbbe9c
04 Feb, 2016 1 commit
- Fixed bug in getTotalDipoles in AmoebaReferenceMultipoleForce.cpp · 18efc03e
  Saurabh Belsare authored Feb 04, 2016
  
  18efc03e
03 Feb, 2016 2 commits
- Fixed bug in calculateTotalDipoles in AmoebaReferenceKernels.cpp · d1a86459
  Saurabh Belsare authored Feb 04, 2016
  
  d1a86459
- Added calculateTotalDipoles function · 3e9dc091
  Saurabh Belsare authored Feb 04, 2016
  
  3e9dc091
26 Jan, 2016 4 commits
- Reference Debugging complete · 07f6ba41
  Saurabh Belsare authored Jan 26, 2016
  
  07f6ba41
- Debugging 9 · 72cec7eb
  Saurabh Belsare authored Jan 26, 2016
  
  72cec7eb
- Debugging 8 · 02848906
  Saurabh Belsare authored Jan 26, 2016
  
  02848906
- Debugging 7 · 5fbac3ae
  Saurabh Belsare authored Jan 26, 2016
  
  5fbac3ae
25 Jan, 2016 7 commits
- Debugging 6 · adc41497
  Saurabh Belsare authored Jan 25, 2016
  
  adc41497
- Debugging 5 · 0e492d96
  Saurabh Belsare authored Jan 25, 2016
  
  0e492d96
- Debugging 4 · 56b8df1c
  Saurabh Belsare authored Jan 25, 2016
  
  56b8df1c
- Debugging 3 · ee385aa8
  Saurabh Belsare authored Jan 25, 2016
  
  ee385aa8
- Debugging 2 · 817a2265
  Saurabh Belsare authored Jan 25, 2016
  
  817a2265
- Debugging 1 · 23a49345
  Saurabh Belsare authored Jan 25, 2016
  
  23a49345
- Commented out extra two LabFrameDipole calculation headers · d3aa60e9
  Saurabh Belsare authored Jan 25, 2016
  
  d3aa60e9
23 Jan, 2016 1 commit
- Uncommented all the calculate LabFramePermanentDipoles functions · 5f248e63
  Saurabh Belsare authored Jan 23, 2016
  
  5f248e63
20 Jan, 2016 3 commits
- Modified comments to not generate documentation for LabFrame functions · 587ba7f2
  Saurabh Belsare authored Jan 20, 2016
  
  587ba7f2
- Commented out all the LabFrame functions · 1daa9bbc
  Saurabh Belsare authored Jan 20, 2016
  
  1daa9bbc
- Uncommented the labFrameDipoles function · 76bb1209
  Saurabh Belsare authored Jan 20, 2016
  
  76bb1209
19 Jan, 2016 1 commit
- Commenting out Dipole Calculation · d1b39bd8
  Saurabh Belsare authored Jan 19, 2016
  
  d1b39bd8
18 Jan, 2016 7 commits
- Corrected spelling or Permanent · 881582c7
  Saurabh Belsare authored Jan 18, 2016
  
  881582c7
- Fixed typo · a84f728a
  Saurabh Belsare authored Jan 18, 2016
  
  a84f728a
- Changed call to calculate lab frame permanent dipoles function · 5aeef6df
  Saurabh Belsare authored Jan 18, 2016
  
  5aeef6df
- Removed unnecessay public function · 560ef307
  Saurabh Belsare authored Jan 18, 2016
  
  560ef307
- Added 2 labFrameDipoleMoment declarations in AmoebaReferenceMultipoleForce.h · dd0d76ef
  Saurabh Belsare authored Jan 18, 2016
  
  dd0d76ef
- Restructuring the lab frame dipole moments function · 49277790
  Saurabh Belsare authored Jan 18, 2016
  
  49277790
- Created a public verison of the applyRotationMatrix function so that it can be... · a8d0f0e1
  Saurabh Belsare authored Jan 18, 2016
```
Created a public verison of the applyRotationMatrix function so that it can be accessed from outside
```
  a8d0f0e1
16 Jan, 2016 1 commit
- getLabFramePermanentDipoles should be completely implemented on the reference platform · bf0fa20f
  Saurabh Belsare authored Jan 16, 2016
  
  bf0fa20f
14 Jan, 2016 1 commit
- Added required headers. Still need to actually implement the functions · 454eda76
  Saurabh Belsare authored Jan 14, 2016
  
  454eda76
07 Jan, 2016 1 commit
- Continuing CUDA implementation of extrapolated polarization · c2ea6c28
  Peter Eastman authored Jan 07, 2016
  
  c2ea6c28
19 Dec, 2015 1 commit
- Support GK with extrapolated polarization · e6804811
  Peter Eastman authored Dec 18, 2015
  
  e6804811
16 Dec, 2015 2 commits
- Further cleanup to extrapolated polarization · 1589d425
  Peter Eastman authored Dec 16, 2015
  
  1589d425
- Lots of cleanup to extrapolated polarization · cd03350c
  Peter Eastman authored Dec 15, 2015
  
  cd03350c
11 Dec, 2015 1 commit
- Added getLabFramePermanentDipoles headers to 4 files · ad966d1c
  Saurabh Belsare authored Dec 11, 2015
  
  ad966d1c
09 Dec, 2015 3 commits
- Fixed bug in NoCutoff PT polarization routine. · 0a608bf6
  Andy Simmonett authored Dec 09, 2015
  
  0a608bf6
- Single char fix to PT code. · c12298b8
  Andy Simmonett authored Dec 08, 2015
```
The forces were not correct for different uind/uinp as a result.
```
  c12298b8
- Unified direct and reciprocal field gradient terms for OPT.Tested with a triclinic crystal. · 94823d84
  Andy Simmonett authored Dec 08, 2015
  
  94823d84
08 Dec, 2015 1 commit
- Added Cartesian field-like OPT dipole response gradients to the PME routine. · 62cc2344
  Andy Simmonett authored Dec 07, 2015
  
  62cc2344