Ecosyste.ms: Issues

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GitHub / westpa/westpa issues and pull requests

#254 - Fix for HDF5MDTrajectory(trace)

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago

#253 - Make bin occupancy reporting accurate for all bin mapper types

Pull Request - State: closed - Opened by atbogetti over 2 years ago - 1 comment

#252 - MAB bottleneck detection now obeys direction option

Pull Request - State: closed - Opened by atbogetti over 2 years ago - 1 comment

#251 - Fixes to Processes Manager on MacOS

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#250 - Fix recycling when using HDF5 Framework

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#249 - Port of w_pdist custom weights for WESTPA 2.0

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#248 - Added a MAB option to "skip" splitting in a specified pcoord dimension

Pull Request - State: closed - Opened by atbogetti over 2 years ago - 1 comment

#247 - MABBinMapper Fix for restarting a partially-completed iteration

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#246 - New BinlessMapper functionality + Misc Fixes

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#242 - WESTPA 1.0 Plothist misc fix

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago

#241 - WESTPA2.0 miscfix for plothist

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#240 - Added a new BinlessMapper for WESTPA

Pull Request - State: closed - Opened by atbogetti over 2 years ago - 3 comments
Labels: enhancement

#238 - Allowed initial states to be stored when using the HDF5 framework

Pull Request - State: closed - Opened by SHZ66 over 2 years ago - 1 comment

#235 - Fixing w_trace for WESTPA 2.0

Pull Request - State: closed - Opened by jeremyleung521 over 2 years ago - 1 comment

#233 - modified README for sphinx and project for interim 2.0 dev releases

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago - 1 comment

#232 - WESTPA 2.0 Documentation Fix

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago

#230 - Decoupling all plugins in westext

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago - 2 comments
Labels: bug

#224 - port of PR #169 to WESTPA 1.0

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago
Labels: bug

#223 - Added option for constant number of total walkers

Pull Request - State: closed - Opened by atbogetti almost 3 years ago - 3 comments
Labels: enhancement

#222 - Making Start States Compatible with the HDF5 Framework

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago - 2 comments

#221 - Added in the option to specify min/max weight thresholds in west.cfg (Attempt #2)

Pull Request - State: closed - Opened by atbogetti almost 3 years ago - 1 comment
Labels: enhancement

#220 - Making sim_manager.initialize() arguments explicit in w_init

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago - 2 comments

#215 - add python 3.10 to the list for CI

Pull Request - State: closed - Opened by jeremyleung521 almost 3 years ago - 1 comment

#212 - Fix for CI failure while linting with black

Pull Request - State: closed - Opened by jeremyleung521 about 3 years ago - 2 comments

#208 - Added in the option to specify min/max weight thresholds in west.cfg

Pull Request - State: closed - Opened by atbogetti about 3 years ago - 1 comment
Labels: enhancement

#207 - Integrated RED scheme rate estimation as the w_red tool.

Pull Request - State: closed - Opened by atbogetti about 3 years ago - 2 comments
Labels: enhancement

#202 - Changing y-axis label for plothist 'energy' mode

Pull Request - State: closed - Opened by atbogetti about 3 years ago
Labels: enhancement

#201 - Fixed a bug in w_trace that resulted from h5py 3.0 upgrade

Pull Request - State: closed - Opened by atbogetti about 3 years ago - 1 comment

#200 - Fix w_trace for h5py 3

Pull Request - State: closed - Opened by jeremyleung521 about 3 years ago - 1 comment

#191 - Rolling back binhash fix from #186

Pull Request - State: closed - Opened by jeremyleung521 about 3 years ago - 1 comment

#190 - added no-reweight option to w_multi_west

Pull Request - State: closed - Opened by jeremyleung521 about 3 years ago - 2 comments

#188 - Kinetics Tool fix (Numpy 1.19 deprecation)

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago - 2 comments

#187 - 2020.05 - Bug fixes

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago - 1 comment

#184 - w_bins fix

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago - 2 comments

#179 - WESTPA 2.0 byte string fix

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago - 1 comment

#175 - w_multi_west fix (WESTPA 2.0)

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago
Labels: bug

#174 - rsplit error while initializing

Issue - State: closed - Opened by jeremyleung521 over 3 years ago - 1 comment

#165 - Weights are not normalized assertion error

Issue - State: open - Opened by jeremyleung521 over 3 years ago - 5 comments
Labels: Error Messages Improvement

#164 - Pcoord Shape Error

Issue - State: closed - Opened by jeremyleung521 over 3 years ago - 4 comments
Labels: Error Messages Improvement

#150 - Sphinx Documentation

Pull Request - State: closed - Opened by jeremyleung521 over 3 years ago - 1 comment

#114 - Notebook launched with w_jupyter throws pickling error when calling w_main()

Issue - State: closed - Opened by jdrusso over 4 years ago - 4 comments

#111 - WESTPA Restructuring

Pull Request - State: closed - Opened by synapticarbors over 4 years ago - 4 comments

#88 - Custom weights option for w_pdist

Pull Request - State: closed - Opened by ASinanSaglam about 6 years ago - 1 comment

#6 - bin labels incorrect with RecursiveBinMapper

Issue - State: closed - Opened by synapticarbors about 10 years ago - 1 comment

#5 - `max_run_wallclock` not converted properly depending on format

Issue - State: closed - Opened by synapticarbors about 10 years ago - 1 comment
Labels: bug