Commits · b4150b1bcf1c66cbee038a1467d9daad6e6fb1c8 · tsoc / openmm

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12 Dec, 2013 1 commit
- Fixes for compilation errors on Visual Studio 2013 · b4150b1b
  peastman authored Dec 11, 2013
  
  b4150b1b
11 Dec, 2013 1 commit
- RPMD works correctly with a barostat · 88a11531
  peastman authored Dec 11, 2013
  
  88a11531
10 Dec, 2013 4 commits
- Merge branch 'master' of https://github.com/peastman/openmm · a78624e3
  Peter Eastman authored Dec 10, 2013
  
  a78624e3
- Pickling an Element object works correctly · 24eb8d48
  peastman authored Dec 10, 2013
  
  24eb8d48
- Minor optimizations to CPU platform · 9ec4f597
  peastman authored Dec 10, 2013
  
  9ec4f597
- Still more fixes for problems on OS X 10.9 · 0cb269f5
  peastman authored Dec 09, 2013
  
  0cb269f5
09 Dec, 2013 4 commits
- Fixed bug in pull request #227 · 48498b10
  peastman authored Dec 09, 2013
  
  48498b10
- Merge pull request #231 from peastman/master · d4387357
  peastman authored Dec 09, 2013
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Parallelized SETTLE on CPU platform
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  d4387357
- Test case for SETTLE on CPU platform · 194d0319
  peastman authored Dec 09, 2013
  
  194d0319
- Parallelized SETTLE on CPU platform · 06748808
  peastman authored Dec 09, 2013
  
  06748808
07 Dec, 2013 1 commit
- Merge pull request #227 from pgrinaway/units · 7b16da72
  peastman authored Dec 06, 2013
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Implemented equality and inequality operators for BaseDimension
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  7b16da72
06 Dec, 2013 5 commits
- Merge pull request #230 from peastman/master · 4c5e01a1
  peastman authored Dec 06, 2013
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Major simplification to constraint handling in reference platform
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  4c5e01a1
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
- Merge pull request #229 from peastman/master · 6caf992a
  peastman authored Dec 06, 2013
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Further optimizations to CPU platform
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  6caf992a
- Further optimizations to CPU platform · 99f3a8a2
  peastman authored Dec 06, 2013
  
  99f3a8a2
- Check type in __eq__() and __ne__(), simplify code · 8d6d5521
  Patrick Grinaway authored Dec 05, 2013
  
  8d6d5521
05 Dec, 2013 5 commits
- Merge pull request #228 from peastman/master · d600e589
  peastman authored Dec 05, 2013
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Minor optimizations to CPU platform
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  d600e589
- Minor optimizations to CPU platform · 2882737d
  peastman authored Dec 05, 2013
  
  2882737d
- Added implementation for equality __eq__() and inequality __ne__() operators · 1f1a28b5
  Patrick Grinaway authored Dec 05, 2013
  
  1f1a28b5
- Merge pull request #225 from peastman/master · 72959084
  peastman authored Dec 04, 2013
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More fixes for problems on OS X 10.9
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  72959084
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
04 Dec, 2013 4 commits

Merge pull request #224 from peastman/master · 6f3d9fd5

peastman authored Dec 04, 2013

Enforce memory alignment to improve performance of vector operations.  Also fixed bugs in an earlier optimization.

6f3d9fd5

Enforce memory alignment to improve performance of vector operations. Also... · b1be68d8
peastman authored Dec 04, 2013
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Enforce memory alignment to improve performance of vector operations.  Also fixed bugs in an earlier optimization.
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b1be68d8

Merge pull request #223 from peastman/master · 3732e0e6

peastman authored Dec 04, 2013

Optimizations to CPU nonbonded forces: better load balancing between threads, use linear splines instead of cubic

3732e0e6

Optimizations to CPU nonbonded forces: better load balancing between threads,... · be04ec57
peastman authored Dec 04, 2013
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Optimizations to CPU nonbonded forces: better load balancing between threads, use linear splines instead of cubic
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be04ec57

03 Dec, 2013 2 commits
- Merge pull request #222 from peastman/master · 5d0aece0
  peastman authored Dec 03, 2013
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Optimization to building neighbor list on CPU platform
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  5d0aece0
- Optimization to building neighbor list on CPU platform · 56cf0fde
  peastman authored Dec 03, 2013
  
  56cf0fde
25 Nov, 2013 2 commits
- Merge pull request #221 from peastman/master · 1a1e233e
  peastman authored Nov 25, 2013
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Fixed bugs in computing PME energy with CPU platform
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  1a1e233e
- Fixed bugs in computing PME energy with CPU platform · 0ee8c785
  peastman authored Nov 25, 2013
  
  0ee8c785
13 Nov, 2013 2 commits
- Merge pull request #218 from peastman/master · d59a34fb
  peastman authored Nov 13, 2013
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Fixed errors on OS X 10.9: link against libc++ instead of libstdc++
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  d59a34fb
- Fixed errors on OS X 10.9: link against libc++ instead of libstdc++ · c1f64b3f
  peastman authored Nov 13, 2013
  
  c1f64b3f
08 Nov, 2013 2 commits
- Merge pull request #215 from peastman/master · 5c063a7e
  peastman authored Nov 08, 2013
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Added some missing virtual destructors
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  5c063a7e
- Added some missing virtual destructors · 9d207e8d
  peastman authored Nov 08, 2013
  
  9d207e8d
07 Nov, 2013 6 commits
- Merge pull request #213 from peastman/master · ed0abe80
  peastman authored Nov 07, 2013
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Fixed compilation errors on OS X 10.9
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  ed0abe80
- Fixed compilation errors on OS X 10.9 · 9a26412b
  peastman authored Nov 07, 2013
  
  9a26412b
- Merge pull request #212 from peastman/master · fd2708b4
  peastman authored Nov 07, 2013
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Tabulated log(x) to improve GB performance
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  fd2708b4
- Tabulated log(x) to improve GB performance · f39a5545
  peastman authored Nov 07, 2013
  
  f39a5545
- Merge pull request #211 from peastman/master · 59893e57
  peastman authored Nov 07, 2013
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Fixed compilation errors on gcc
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  59893e57
- Fixed compilation errors on gcc · 7714f7ff
  peastman authored Nov 07, 2013
  
  7714f7ff
06 Nov, 2013 1 commit
- Merge pull request #208 from peastman/master · f52c8d46
  peastman authored Nov 06, 2013
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Improved the geometry of hydroxyls when adding hydrogens
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  f52c8d46