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remove dangling @show statement Documentation #249: Commit 90cb99e pushed by axsk
November 20, 2024 16:37 5m 5s main
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November 20, 2024 16:37 5m 5s
add new kde sampler Documentation #248: Commit e9e1c36 pushed by axsk
November 20, 2024 16:36 4m 36s main
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November 20, 2024 16:36 4m 36s
allow selection of nonbonded force calculation Documentation #247: Commit e203289 pushed by axsk
November 20, 2024 16:04 3m 11s main
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November 20, 2024 16:04 3m 11s
proper defaults for nonbondedForce, enhanced savecoords, allow pass… Documentation #246: Commit 867791e pushed by axsk
November 20, 2024 15:28 7m 9s main
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November 20, 2024 15:28 7m 9s
DEFAULT CHANGE: default padding is now 1nm Documentation #245: Commit afbb2b2 pushed by axsk
November 20, 2024 15:08 10m 26s main
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November 20, 2024 15:08 10m 26s
hotfix nonbondedMethod in mopenmm.py Documentation #244: Commit 714a98d pushed by axsk
November 20, 2024 15:06 9m 59s main
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November 20, 2024 15:06 9m 59s
rename adddata to resample_strat, simplify OpenMMSimulation serializa… Documentation #243: Commit e70c3de pushed by axsk
November 19, 2024 14:37 19m 40s main
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November 19, 2024 14:37 19m 40s
fix serialization of OpenMMSimulation Documentation #242: Commit 3d3ce0d pushed by axsk
October 24, 2024 15:11 7m 9s main
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October 24, 2024 15:11 7m 9s
working on the water experiments Documentation #241: Commit adf875e pushed by axsk
October 23, 2024 12:24 13m 24s main
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October 23, 2024 12:24 13m 24s
working on the water experiments Documentation #240: Commit 50d7812 pushed by axsk
October 23, 2024 12:23 13m 36s main
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October 23, 2024 12:23 13m 36s
example for comparison of vacuum, implicit and explicit water Documentation #239: Commit 1c9ade1 pushed by axsk
October 22, 2024 12:54 14m 15s main
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October 22, 2024 12:54 14m 15s
worms example: pulling out the ligand with a constant force Documentation #238: Commit abf269f pushed by axsk
October 17, 2024 14:14 21m 38s main
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October 17, 2024 14:14 21m 38s
Merge remote-tracking branch 'jakob/jakob' Documentation #237: Commit 38ad87b pushed by axsk
October 10, 2024 16:09 19m 56s main
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October 10, 2024 16:09 19m 56s
fix negative steps in reactionpath Documentation #236: Commit fcffbe5 pushed by axsk
October 10, 2024 16:00 19m 35s main
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October 10, 2024 16:00 19m 35s
Girsanov 2 Documentation #234: Pull request #37 synchronize by axsk
October 10, 2024 12:13 19m 44s girsanovj
girsanovj
October 10, 2024 12:13 19m 44s
Girsanov 2 Documentation #233: Pull request #37 synchronize by axsk
October 10, 2024 12:00 19m 28s girsanovj
girsanovj
October 10, 2024 12:00 19m 28s
propagate/trajectory: deprecate the old mopenmm.py approach in favor … Documentation #232: Commit 0f012f0 pushed by axsk
October 7, 2024 14:33 17m 59s main
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October 7, 2024 14:33 17m 59s
mor preprocessing and simulation working Documentation #231: Commit 3583873 pushed by axsk
September 26, 2024 15:10 12m 38s main
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September 26, 2024 15:10 12m 38s
implement memorymapped array for coord storage Documentation #230: Commit ba834d4 pushed by axsk
September 23, 2024 13:17 5m 11s main
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September 23, 2024 13:17 5m 11s
minor tweaks Documentation #229: Commit 1de8d5d pushed by axsk
September 23, 2024 11:59 10m 27s main
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September 23, 2024 11:59 10m 27s
change runadaptive! default to use kde Documentation #228: Commit 66ec0b1 pushed by axsk
September 20, 2024 13:53 11m 22s main
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September 20, 2024 13:53 11m 22s
openmm: fix girsanov sampler Documentation #227: Commit 07530c6 pushed by axsk
September 13, 2024 09:42 4m 51s main
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September 13, 2024 09:42 4m 51s
openmm: fix girsanov sampler Documentation #226: Commit 5091260 pushed by axsk
September 13, 2024 09:40 4m 45s main
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September 13, 2024 09:40 4m 45s
openmm: fix girsanov sampler Documentation #225: Commit 817c235 pushed by axsk
September 12, 2024 16:59 4m 34s main
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September 12, 2024 16:59 4m 34s
openmm: fix girsanov sampler Documentation #224: Commit 470c38f pushed by axsk
September 12, 2024 16:55 4m 41s main
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September 12, 2024 16:55 4m 41s