Commits · bf11baa7de90fe42ba21863b899d6506c2259af2 · tsoc / openmm

07 Jun, 2016 1 commit
- Merge pull request #1509 from peastman/nan · bf11baa7
  peastman authored Jun 07, 2016
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Fixed error with PME when particles are exactly on top of each other
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  bf11baa7
06 Jun, 2016 2 commits
- Fixed error with PME when particles are exactly on top of each other · 04165dc1
  peastman authored Jun 06, 2016
  
  04165dc1
- Merge pull request #1508 from peastman/checkpoint · 88eee8cd
  peastman authored Jun 06, 2016
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Fixed incorrect checkpointing of reference random number generator
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  88eee8cd
03 Jun, 2016 1 commit
- Fixed incorrect checkpointing of reference random number generator · 813275a0
  peastman authored Jun 03, 2016
  
  813275a0
26 May, 2016 3 commits
- Merge pull request #1500 from peastman/version · 32e08b87
  peastman authored May 26, 2016
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Platform::getOpenMMVersion() includes patch version
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  32e08b87
- Merge pull request #1499 from peastman/reallocneighbors · 6c6d68d2
  peastman authored May 26, 2016
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Improved method for resizing neighbor list
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  6c6d68d2
- Platform::getOpenMMVersion() includes patch version · 086501a7
  peastman authored May 26, 2016
  
  086501a7
25 May, 2016 1 commit
- Improved method for resizing neighbor list · 6cc2edd1
  Peter Eastman authored May 25, 2016
  
  6cc2edd1
20 May, 2016 1 commit
- Merge pull request #1495 from peastman/tablelimit · c2be00a6
  peastman authored May 20, 2016
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Fixed edge case with 2D and 3D continuous functions
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  c2be00a6
19 May, 2016 1 commit
- Fixed edge case with 2D and 3D continuous functions · ae5c9a1d
  Peter Eastman authored May 19, 2016
  
  ae5c9a1d
16 May, 2016 1 commit
- Merge pull request #1487 from peastman/triclinic · 96a37423
  peastman authored May 15, 2016
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Fixed bug in PME with triclinic boxes
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  96a37423
13 May, 2016 1 commit
- Fixed bug in PME with triclinic boxes · e1181999
  Peter Eastman authored May 13, 2016
  
  e1181999
11 May, 2016 5 commits
- Fixed bug in PME with triclinic boxes · fcbee6a5
  Peter Eastman authored May 11, 2016
  
  fcbee6a5
- Merge pull request #1484 from swails/gbneck_errchk · 244dd6d7
  peastman authored May 11, 2016
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Fix error check for GBneck parameters
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  244dd6d7
- Fix tests. · 484d5c7e
  Jason Swails authored May 10, 2016
  
  484d5c7e
- Add a test case for the bounds checking of GBSAGBnForce. Fails for code before · a485716b
  Jason Swails authored May 10, 2016
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this PR
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  a485716b
- Fix error check for GBneck parameters · 070a0f47
  Jason Swails authored May 10, 2016
```
This doesn't lead to incorrect results, but it does erroneously flag some radii
as being illegal when they aren't (making it impossible to run some suggested
systems).

The parameters need to be compared to the table limits *before* subtracting off
the offset, whereas it's currently being done after.
```
  070a0f47
10 May, 2016 1 commit
- Merge pull request #1482 from peastman/grocmap · 6a40448b
  peastman authored May 10, 2016
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Fixed error using CMAP with GRO files on Python 3
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  6a40448b
09 May, 2016 1 commit
- Fixed error using CMAP with GRO files on Python 3 · 5b4f3fea
  peastman authored May 09, 2016
  
  5b4f3fea
05 May, 2016 4 commits
- Merge pull request #1480 from peastman/neighborlist · a4d327f5
  peastman authored May 05, 2016
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CPU platform shares neighbor list between forces
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  a4d327f5
- CPU platform shares neighbor list between forces · 57812e24
  peastman authored May 05, 2016
  
  57812e24
- Merge pull request #1479 from peastman/boxvectors · 61d15a2a
  peastman authored May 05, 2016
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Changing box vectors does not change positions
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  61d15a2a
- Changing box vectors does not change positions · 32ea2e9d
  Peter Eastman authored May 05, 2016
  
  32ea2e9d
25 Apr, 2016 5 commits
- Merge pull request #1469 from peastman/properties · 9e66f0b1
  peastman authored Apr 25, 2016
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Unified names of platform properties
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  9e66f0b1
- Merge pull request #1471 from peastman/compiledintegrator · 25d21454
  peastman authored Apr 25, 2016
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Optimized CPU implementation of CustomIntegrator
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  25d21454
- Fixed segfault · 803e826b
  peastman authored Apr 25, 2016
  
  803e826b
- Optimized CPU implementation of CustomIntegrator · bf32de7a
  peastman authored Apr 25, 2016
  
  bf32de7a
- Merge pull request #1470 from peastman/minimize · 7e877240
  peastman authored Apr 25, 2016
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Improved minimization with strict constraint tolerance
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  7e877240
22 Apr, 2016 2 commits
- Improved minimization with strict constraint tolerance · cce10705
  peastman authored Apr 22, 2016
  
  cce10705
- Minor code cleanup · cc4caaba
  Peter Eastman authored Apr 22, 2016
  
  cc4caaba
21 Apr, 2016 6 commits
- Updated documentation for unified property names · 4966bdff
  Peter Eastman authored Apr 21, 2016
  
  4966bdff
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
- Merge pull request #1468 from peastman/mctemperature · 95584c96
  peastman authored Apr 21, 2016
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Changed mechanism for setting barostat temperature
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  95584c96
- Changed mechanism for setting barostat temperature · 50fe7be0
  Peter Eastman authored Apr 21, 2016
  
  50fe7be0
- Merge pull request #1467 from peastman/amoebaperiodic · 8190f243
  peastman authored Apr 21, 2016
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Periodic boundary conditions for AMOEBA bonded forces
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  8190f243
- Serialization of periodic boundary conditions for AMOEBA bonded forces · c54126a0
  Peter Eastman authored Apr 21, 2016
  
  c54126a0
20 Apr, 2016 2 commits
- CUDA implementation of periodic boundary conditions for AMOEBA bonded forces · 713cc0f9
  Peter Eastman authored Apr 20, 2016
  
  713cc0f9
- Reference implementation of periodic boundary conditions for AMOEBA bonded forces · 94fbbe9c
  Peter Eastman authored Apr 20, 2016
  
  94fbbe9c
19 Apr, 2016 2 commits
- Merge pull request #1466 from peastman/tablederiv · fd289aae
  peastman authored Apr 19, 2016
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Fixed error in Continuous3DFunction on CUDA and OpenCL
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  fd289aae
- Fixed error in Continuous3DFunction on CUDA and OpenCL · f091f8b7
  Peter Eastman authored Apr 19, 2016
  
  f091f8b7