Commits · 595059ce8cb75b6eb51d0df45fc532b50a8a5c70 · tsoc / openmm

10 Aug, 2018 1 commit
- Avoid unnecessary uploads of global parameters · 595059ce
  Peter Eastman authored Aug 10, 2018
  
  595059ce
25 Jul, 2018 4 commits
- Merge pull request #2134 from stnma7e/master · f6cbe7d6
  peastman authored Jul 25, 2018
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minor fix for a NameError in getAtomIndexByName
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  f6cbe7d6
- Merge pull request #2133 from peastman/atomic · fdb501e3
  peastman authored Jul 25, 2018
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Replaced gmx_atomic with C++ atomic
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  fdb501e3
- fix NameError in getAtomIndexByName · e1c200ba
  Sam Delmerico authored Jul 25, 2018
  
  e1c200ba
- Replaced gmx_atomic with C++ atomic · 72bfef12
  peastman authored Jul 25, 2018
  
  72bfef12
24 Jul, 2018 7 commits
- Merge pull request #2132 from peastman/appveyor · e72a4e8c
  peastman authored Jul 24, 2018
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Attempt at fixing AppVeyor (again...)
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  e72a4e8c
- Still trying to fix AppVeyor · 5875d0f6
  peastman authored Jul 24, 2018
  
  5875d0f6
- Still trying to fix AppVeyor · 2b750a70
  peastman authored Jul 24, 2018
  
  2b750a70
- Attempt at fixing AppVeyor (again...) · f5674422
  peastman authored Jul 24, 2018
  
  f5674422
- Merge pull request #2130 from peastman/amoeba · 71e02fa9
  peastman authored Jul 24, 2018
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Minor optimizations to AMOEBA
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  71e02fa9
- Minor optimizations to AMOEBA · 99aa1207
  Peter Eastman authored Jul 24, 2018
  
  99aa1207
- Merge pull request #2129 from peastman/ixn · 756e479c
  peastman authored Jul 24, 2018
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Optimization to custom forces on CPU
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  756e479c
23 Jul, 2018 5 commits
- Optimization to custom forces on CPU · 89f52648
  peastman authored Jul 23, 2018
  
  89f52648
- Merge pull request #2128 from peastman/functions · 2985aaea
  peastman authored Jul 23, 2018
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Optimized CustomCVForce.updateParametersInContext()
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  2985aaea
- Optimized CustomCVForce.updateParametersInContext() · fc79cc94
  peastman authored Jul 23, 2018
  
  fc79cc94
- Merge pull request #2127 from peastman/groups · 21a09873
  peastman authored Jul 23, 2018
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Fixed bug in Python wrapper
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  21a09873
- Fixed bug in Python wrapper · f3437eec
  peastman authored Jul 23, 2018
  
  f3437eec
19 Jul, 2018 1 commit
- Merge pull request #2122 from peastman/updatetable · 5387707d
  peastman authored Jul 19, 2018
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Added CustomCVForce.updateParametersInContext()
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  5387707d
17 Jul, 2018 1 commit
- Added CustomCVForce.updateParametersInContext() · 9e0f5f3d
  peastman authored Jul 17, 2018
  
  9e0f5f3d
16 Jul, 2018 1 commit
- Merge pull request #2121 from peastman/pme · 4885a268
  peastman authored Jul 16, 2018
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Optimizations to PME charge spreading
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  4885a268
13 Jul, 2018 2 commits
- Optimizations to PME in OpenCL · 73760081
  Peter Eastman authored Jul 13, 2018
  
  73760081
- Bug fixes and code simplification · 36b9db84
  Peter Eastman authored Jul 13, 2018
  
  36b9db84
12 Jul, 2018 2 commits
- Merge pull request #2119 from peastman/offsetparams · 38ae2563
  peastman authored Jul 12, 2018
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Global parameters for NonbondedForce are explicitly defined
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  38ae2563
- Optimizations to PME in CUDA · 1b12ede8
  Peter Eastman authored Jul 12, 2018
  
  1b12ede8
11 Jul, 2018 2 commits
- Global parameters for NonbondedForce are explicitly defined · dbeb0c22
  peastman authored Jul 11, 2018
  
  dbeb0c22
- Merge pull request #2118 from peastman/bug · dea16a26
  peastman authored Jul 11, 2018
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Bug fix
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  dea16a26
10 Jul, 2018 1 commit
- Bug fix · cb537d57
  Peter Eastman authored Jul 10, 2018
  
  cb537d57
09 Jul, 2018 2 commits
- Merge pull request #2115 from peastman/offsetxml · fd569d79
  peastman authored Jul 09, 2018
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Serialization of parameter offsets
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  fd569d79
- Serialization of parameter offsets · 6aa09a5a
  peastman authored Jul 09, 2018
  
  6aa09a5a
06 Jul, 2018 1 commit
- Merge pull request #2112 from peastman/cleanup · 8f8aa247
  peastman authored Jul 06, 2018
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Code cleanup
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  8f8aa247
05 Jul, 2018 2 commits
- Merged changes from master branch · c0e862f6
  Peter Eastman authored Jul 05, 2018
  
  c0e862f6
- Merge pull request #2105 from peastman/offset · 0d13f9cd
  peastman authored Jul 05, 2018
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NonbondedForce can use context parameters to modify particles
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  0d13f9cd
03 Jul, 2018 4 commits
- Code cleanup to CUDA platform · b441c4a7
  Peter Eastman authored Jul 03, 2018
  
  b441c4a7
- Fixed compiler warning · a8020adc
  peastman authored Jul 03, 2018
  
  a8020adc
- Code cleanup to OpenCL platform · ea4873f0
  peastman authored Jul 03, 2018
  
  ea4873f0
- Code cleanup to reference and CPU platforms · 9f37b18b
  peastman authored Jul 03, 2018
  
  9f37b18b
30 Jun, 2018 2 commits
- Merge pull request #2108 from jchodera/fix-version · bc008d45
  peastman authored Jun 30, 2018
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Update version numbers
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  bc008d45
- Update version of development branch to 7.3.0 · 70b9d218
  John Chodera authored Jun 29, 2018
  
  70b9d218
29 Jun, 2018 1 commit
- Fixed RPMD error created by changes to computing and storing charges · 57476699
  Peter Eastman authored Jun 29, 2018
  
  57476699
28 Jun, 2018 1 commit
- Bug fix · d86dd9d1
  Peter Eastman authored Jun 28, 2018
  
  d86dd9d1