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IRL2
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nanover-server-py
https://irl2.github.io/nanover-docs/#
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Omni `Simulation` type should be split into actually loaded simulation and potential simulation
#316
Ragzouken
opened
3 hours ago
0
ASE's ImdCalculator allows None atoms -- does this make any sense?
#315
Ragzouken
opened
4 hours ago
1
Rework iMD in ASE
#314
hjstroud
opened
4 hours ago
0
Exception when client quits
#313
Ragzouken
opened
1 day ago
0
Update the notebooks based on recent repo name changes
#312
rhoslynroebuck
closed
1 day ago
0
Update repo name
#311
Ragzouken
closed
1 day ago
0
Clear state on simulation switch in omni
#310
Ragzouken
opened
2 days ago
2
Attempt to fix developer install for pycharm IDE
#309
Ragzouken
closed
2 days ago
0
Issues with recording -- avatars / interactions not aligned?
#308
Mohamed-Dhouioui
opened
2 days ago
0
Incorrect forces are added to frame in ASE
#307
hjstroud
opened
2 days ago
0
ASE double-calculates iMD force each simulation step
#306
hjstroud
opened
2 days ago
1
ASE calculates iMD forces for every simulation step
#305
hjstroud
opened
2 days ago
0
iMD with ASE operates differently to iMD with OpenMM
#304
hjstroud
opened
2 days ago
0
Simulation switching does not clean up state from previous simulation/recording
#303
Ragzouken
opened
3 days ago
2
Interaction Forces Persist Between Simulations and Recordings when using OmniRunner
#302
Mohamed-Dhouioui
opened
3 days ago
0
ASE does not separately deliver the user forces and system forces
#301
hjstroud
closed
1 week ago
0
Fix units of NanoVer quantities in ASE simulations and deliver system and user forces separately
#300
hjstroud
closed
1 week ago
0
Include user forces and energies in the FrameData for ASESimulation
#299
hjstroud
closed
1 week ago
2
ASE doesn't give user forces / energies etc as independent fields
#298
Mohamed-Dhouioui
closed
1 week ago
1
Update 17-alanine and nanotube from SubtleGame files
#297
Mohamed-Dhouioui
opened
1 week ago
1
Add simulation time to FrameData for ASESimulation
#296
hjstroud
closed
1 week ago
2
Fix imports for tests
#295
Ragzouken
opened
1 week ago
1
fix windows install instructions
#294
Ragzouken
closed
1 week ago
0
Remove unused OpenMM components
#293
Ragzouken
opened
2 weeks ago
0
Semantics of manual reset and excessive energy reset need clearer design
#292
Ragzouken
opened
2 weeks ago
0
Basic CLI for recording from server
#291
Ragzouken
opened
2 weeks ago
0
Missing ability to start/stop recording a simulation within a session
#290
rhoslynroebuck
opened
2 weeks ago
0
Automate generation of GitHub App installation access token
#289
hjstroud
closed
2 weeks ago
0
Remove unnecessary asterisks from nglclient docstring
#288
Ragzouken
closed
2 weeks ago
0
Error when building docs for `nanover.nglview.nglclient` module
#287
rhoslynroebuck
closed
2 weeks ago
1
Trigger update of submodules in `nanover-docs` repo
#286
hjstroud
closed
2 weeks ago
1
Save/load state in xml serializer
#285
Ragzouken
closed
2 weeks ago
5
mark sim files with .gitattributes
#284
Ragzouken
closed
3 weeks ago
0
Missing ability to save/load OpenMM serialised state
#283
hjstroud
closed
2 weeks ago
2
Change frame interval and next() to load(0) in ase basic notebook
#282
Ragzouken
closed
3 weeks ago
0
Clean up ASE OMM
#281
Ragzouken
closed
2 weeks ago
0
Consolidate packages
#280
Ragzouken
opened
3 weeks ago
1
Remove ASE OMM command line
#279
Ragzouken
closed
3 weeks ago
0
Remove old ASEOpenMMRunner
#278
Ragzouken
closed
3 weeks ago
0
Remove old OpenMM runner
#277
Ragzouken
closed
3 weeks ago
0
Examples/adding newsims
#276
ludovicaisa
opened
3 weeks ago
6
Update the tutorial notebooks in the `fundamentals` directory
#275
hjstroud
closed
3 weeks ago
1
Update the ASE notebooks that use the `ASESimulation` class
#274
hjstroud
closed
4 weeks ago
0
Simulation in `ase_basic_example.ipynb` is running very slowly
#273
hjstroud
closed
3 weeks ago
4
Make sure threading is daemonic (doesn't force process to remain alive)
#272
Ragzouken
opened
1 month ago
0
Tests don't complete
#271
phuddha
closed
3 weeks ago
2
test_play_step_interval fails sporadically
#270
phuddha
opened
1 month ago
0
Simulation parameters from ASE dynamics objects are in different units to NanoVer
#269
hjstroud
opened
1 month ago
0
Missing descriptive files to accompany example input files
#268
hjstroud
opened
1 month ago
0
Added a Python GUI
#267
Mohamed-Dhouioui
opened
1 month ago
8
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