Commits · d1a864596554766d2af513f7960e3fc540db559e · tsoc / openmm

"...reference/include/windowsExportAmoebaReference.h" did not exist on "ac0ec2161c0b0f878b29b040f59c8d50dac8c4dd"

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
11 Dec, 2015 1 commit
- Added getLabFramePermanentDipoles headers to 4 files · ad966d1c
  Saurabh Belsare authored Dec 11, 2015
  
  ad966d1c
05 Oct, 2015 1 commit
- Fixed a bug in AmoebaMultipoleForce · efb0dd7c
  Peter Eastman authored Oct 05, 2015
  
  efb0dd7c
03 Sep, 2015 1 commit
- Added AmoebaMultipoleForce::getPMEParametersInContext() · b20fe9a6
  peastman authored Sep 03, 2015
  
  b20fe9a6
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
21 Aug, 2015 1 commit
- Switched back to cartesian multipoles everywhere that they're faster than spherical ones · 4de0fc05
  peastman authored Aug 21, 2015
  
  4de0fc05
20 Aug, 2015 1 commit
- Swapped incorrect labels for dScale and pScale · 39e640c0
  peastman authored Aug 20, 2015
  
  39e640c0
19 Aug, 2015 1 commit
- Continuing CUDA implementation of spherical harmonics for multipoles · 72ab8864
  peastman authored Aug 19, 2015
  
  72ab8864
17 Aug, 2015 1 commit
- Began CUDA implementation of spherical harmonics for multipoles · fa21870f
  peastman authored Aug 17, 2015
  
  fa21870f
14 Aug, 2015 1 commit
- Removed obsolete reference multipole code · 3b4dca22
  peastman authored Aug 14, 2015
  
  3b4dca22
22 Jul, 2015 1 commit
- Fixed d and p scale factors in direct space codes. · 92b02978
  Andy Simmonett authored Jul 22, 2015
  
  92b02978
15 Jul, 2015 1 commit

More spherical harmonics added. · 48cb76ad

Andy Simmonett authored Jul 14, 2015

o Replaced Cartesians in the reciprocal and self PME terms.
o Added non-PME spherical harmonics field generation and force evaluation routines.
o Added spherical harmonic potential evaluation, to allow removal of the Cartesian moments.

48cb76ad

12 Jul, 2015 1 commit
- Added PME spherical harmonic field calc. · 21ded039
  Andy Simmonett authored Jul 12, 2015
  
  21ded039
09 Jul, 2015 1 commit
- Fixed small bug in PBC handling. · 4f1eeb93
  Andy Simmonett authored Jul 08, 2015
  
  4f1eeb93