- 02 Jul, 2020 1 commit
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peastman authored
* Use Python 3.8 for Mac build * Another attempt at getting the Mac build to use Python 3 * Fixed syntax error * More attempts at getting Python 3 on Mac * More attempts at getting Python 3 on Mac * More attempts at getting Python 3 on Mac * More attempts at getting Python 3 on Mac
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- 01 Jul, 2020 1 commit
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peastman authored
[WIP] Changes in Metadynamics
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- 26 Jun, 2020 3 commits
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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- 25 Jun, 2020 3 commits
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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- 24 Jun, 2020 12 commits
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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Charlles Abreu authored
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- 23 Jun, 2020 1 commit
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peastman authored
Updated benchmark script
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- 22 Jun, 2020 1 commit
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Peter Eastman authored
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- 15 Jun, 2020 7 commits
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peastman authored
Added 2019 CHARMM polarizable force field
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peastman authored
Nosé Hoover Integrator docs
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peastman authored
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Andy Simmonett authored
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Andy Simmonett authored
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peastman authored
CPU: Various optimisations which improve AVX/AVX2
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Daniel Towner authored
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- 11 Jun, 2020 1 commit
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peastman authored
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- 09 Jun, 2020 2 commits
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peastman authored
CPU: Added support for AVX2.
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Daniel Towner authored
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- 04 Jun, 2020 4 commits
- 03 Jun, 2020 4 commits
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peastman authored
Fixed an error using virtual sites with patches
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peastman authored
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peastman authored
Allow selection of OpenCL platfom/device for plugin tests
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Thomas Trummer authored
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