Commits · d54938ac9d4d43737a0e8d10323de9733b1bec1f · tsoc / openmm

20 Jul, 2020 1 commit
- Workaround for gcc bug · d54938ac
  Peter Eastman authored Jul 20, 2020
  
  d54938ac
16 Jul, 2020 1 commit
- Fixed errors · c2a049b0
  Peter Eastman authored Jul 16, 2020
  
  c2a049b0
01 Jul, 2020 5 commits
- Updated Python API for AmoebaVdwForce · fddfeecb
  Peter Eastman authored Jul 01, 2020
  
  fddfeecb
- CUDA implementation of new features in AmoebaVdwForce · d925ed4b
  Peter Eastman authored Jul 01, 2020
  
  d925ed4b
- Bug fixes to AmoebaVdwForce · d923b056
  Peter Eastman authored Jul 01, 2020
  
  d923b056
- Cleanup to reference implementation of AmoebaVdwForce · 745f88b7
  Peter Eastman authored Jul 01, 2020
  
  745f88b7
- Handle overloaded functions in C and Fortran wrappers · 9f57dbb0
  Peter Eastman authored Jul 01, 2020
  
  9f57dbb0
30 Jun, 2020 1 commit
- Continuing to new features in AmoebaVdwForce · 5e392f97
  Peter Eastman authored Jun 30, 2020
  
  5e392f97
29 Jun, 2020 1 commit
- Began implementing new features in AmoebaVdwForce · b6b43fdf
  Peter Eastman authored Jun 29, 2020
  
  b6b43fdf
23 Jun, 2020 1 commit
- Merge pull request #2754 from peastman/benchmark · eec9cd69
  peastman authored Jun 23, 2020
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Updated benchmark script
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  eec9cd69
22 Jun, 2020 1 commit
- Updated benchmark script · 6a82ea51
  Peter Eastman authored Jun 22, 2020
  
  6a82ea51
15 Jun, 2020 7 commits
- Merge pull request #2738 from peastman/drude · 3fef456d
  peastman authored Jun 15, 2020
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Added 2019 CHARMM polarizable force field
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  3fef456d
- Merge pull request #2621 from andysim/nhdocs · cc51b2fc
  peastman authored Jun 15, 2020
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Nosé Hoover Integrator docs
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  cc51b2fc
- Fixed errors in test case · 756b1d91
  peastman authored Jun 15, 2020
  
  756b1d91
- Recommend 1/ps interaction frequency · 22b40d34
  Andy Simmonett authored Jun 15, 2020
  
  22b40d34
- Clean up application.rst blurb · 4603c429
  Andy Simmonett authored Jun 15, 2020
  
  4603c429
- Merge pull request #2741 from dwtowner/cpu_avx_optimisations · 4dc4b61b
  peastman authored Jun 15, 2020
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CPU: Various optimisations which improve AVX/AVX2
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  4dc4b61b
- CPU: Various optimisations which improve AVX/AVX2 · f8dc7aa1
  Daniel Towner authored Jun 15, 2020
  
  f8dc7aa1
11 Jun, 2020 1 commit
- Added 2019 CHARMM polarizable force field · 5c83e423
  peastman authored Jun 11, 2020
  
  5c83e423
09 Jun, 2020 2 commits
- Merge pull request #2724 from dwtowner/cpu_avx2_support · e4c1f73c
  peastman authored Jun 09, 2020
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CPU: Added support for AVX2.
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  e4c1f73c
- CPU: Added support for AVX2. · 170ac691
  Daniel Towner authored Jun 09, 2020
  
  170ac691
04 Jun, 2020 4 commits
- Merge pull request #2728 from peastman/drude · 8c43e37a
  peastman authored Jun 04, 2020
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Don't mark Drude particles as deuterium
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  8c43e37a
- Fixed test case · 68eb50bd
  peastman authored Jun 04, 2020
  
  68eb50bd
- Default extra particle identifier is the same for reading and writing · ff4c490e
  peastman authored Jun 04, 2020
  
  ff4c490e
- Don't mark Drude particles as deuterium · 30cac992
  peastman authored Jun 04, 2020
  
  30cac992
03 Jun, 2020 4 commits
- Merge pull request #2727 from peastman/excludewith · 12f17a6c
  peastman authored Jun 03, 2020
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Fixed an error using virtual sites with patches
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  12f17a6c
- Fixed an error using virtual sites with patches · 23ff308e
  peastman authored Jun 03, 2020
  
  23ff308e
- Merge pull request #2723 from thtrummer/master · bdd1f78a
  peastman authored Jun 03, 2020
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Allow selection of OpenCL platfom/device for plugin tests
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  bdd1f78a
- Allow selection of OpenCL platfom/device for plugin tests · 4bd7f54c
  Thomas Trummer authored Jun 03, 2020
  
  4bd7f54c
02 Jun, 2020 5 commits
- Merge pull request #2713 from merkys/add-SOVERSION-libOpenMM · 1c162ef2
  peastman authored Jun 02, 2020
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Adding SOVERSION for OpenMM main shared library
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  1c162ef2
- Merge pull request #2717 from thtrummer/master · 800b1851
  peastman authored Jun 02, 2020
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Add OpenCL platform index for tests that use two devices
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  800b1851
- Add OpenCL platform index for tests that use two devices · 7dde9d2d
  Thomas Trummer authored Jun 02, 2020
  
  7dde9d2d
- Making SOVERSION equal to "${OPENMM_MAJOR_VERSION}.${OPENMM_MINOR_VERSION}". · 5135a8a4
  Andrius Merkys authored Jun 02, 2020
  
  5135a8a4
- Merge pull request #2715 from peastman/exceptions · 945067fe
  peastman authored Jun 01, 2020
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Fixed check for changed exceptions
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  945067fe
01 Jun, 2020 6 commits
- Fixed check for changed exceptions · a7c50469
  peastman authored Jun 01, 2020
  
  a7c50469
- Merge pull request #2714 from thtrummer/master · b37e55be
  peastman authored Jun 01, 2020
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Fix undefined behaviour when accessing empty std::vector
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  b37e55be
- Fix undefined behaviour when accessing empty std::vector · 573cd35f
  Thomas Trummer authored Jun 01, 2020
  
  573cd35f
- Merge pull request #2711 from thtrummer/master · 323159d8
  peastman authored Jun 01, 2020
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Silence warning about casting 'int' to 'void*' on x64 for msvc
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  323159d8
- Merge pull request #2658 from mark-mb/master · d36e3414
  peastman authored Jun 01, 2020
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Improvements for ARM64 vector implementation
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  d36e3414
- Adding SOVERSION for OpenMM main shared library. · e28e62dd
  Andrius Merkys authored Jun 01, 2020
  
  e28e62dd