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WESTPA

Highly scalable software for running extended-timescale simulations with any dynamics engine
Collective - Host: opensource - https://opencollective.com/westpa - Website: https://westpa.github.io/westpa/ - Code: https://github.com/westpa/westpa

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

* added a MAB option to skip splitting in a specified pcoord dimension

* Improved error messa...

github.com/westpa/westpa - 113334027c4a6971f9e70eb31e3f699359514f7a authored over 2 years ago by Anthony Bogetti <[email protected]>
New BinlessMapper functionality + Misc Fixes (#246)

* move we_driver thresholds checks to separate method

* modify binless to take group_argument...

github.com/westpa/westpa - c37059b5dd4d6e42356dc16cb8c1c5df55074ec2 authored over 2 years ago by Jeremy Leung <[email protected]>
MABBinMapper Fix for restarting a partially-completed iteration (#247)

* mab fix to add back in isfinal

* fix mab_manager so it doesn't run assign MAB twice after a...

github.com/westpa/westpa - 9d2d6abae369f4a58f67926ef076f55ca1e372bb authored over 2 years ago by Jeremy Leung <[email protected]>
Allowed initial states to be stored when using the HDF5 framework (#238)

* fix

* Added version history for version 8

* initial commit for the HDF5 trajectory loade...

github.com/westpa/westpa - 1f6d78463bd70176412e75d2c40751628492617f authored over 2 years ago by She Zhang <[email protected]>
Added in the option to specify min/max weight thresholds in west.cfg (Attempt #2) (#221)

* added options for weight thresholds in west.cfg

* fixed formatting

* rerun CI

* allow...

github.com/westpa/westpa - bca6740ccf931ff7ab6719ca9512576c08ddc26f authored over 2 years ago by Anthony Bogetti <[email protected]>
Allowing the WEED plugin to use a different bin mapper than simulation (#245)

* setting aux_data to None if the dataset does not exist in west.h5 (as opposed to triggering an...

github.com/westpa/westpa - 1d0332609fe097e976dfee5d699005879b0a0848 authored over 2 years ago by She Zhang <[email protected]>
Added a new BinlessMapper for WESTPA (#240)

* Changed group_function to subgroup_function

* Added binless mapper for general use with clu...

github.com/westpa/westpa - b10d7b2b6c7da8c4b28ebce101f0f84f4608b396 authored over 2 years ago by Anthony Bogetti <[email protected]>
Add option for MAB binning in one direction only (#239)

* initial attempt to add directional MAB binning

* removed unnecessary bin number protection ...

github.com/westpa/westpa - 65d757b764e0c06e1fe5089756787be5923868ce authored over 2 years ago by Anthony Bogetti <[email protected]>
WESTPA2 Github Misc Update (#243)

* WESTPA 2 citations

* badges for README

* tutorial buttons

* Update README.rst buttons...

github.com/westpa/westpa - 3c23d97460f956956350c0de1238db66dc8f630a authored over 2 years ago by Jeremy Leung <[email protected]>
WESTPA2.0 miscfix for plothist (#241)

* remove references to 1/kT in plothist

* fix axes.images deprecation

github.com/westpa/westpa - bcb37c71cff87eff6e71aebb7f9954f6c6d94b23 authored over 2 years ago by Jeremy Leung <[email protected]>
Pcoord loader fix (#237)

* custom dataset loader from config fix

* pcoord_loader fix when one frame per iteration and ...

github.com/westpa/westpa - 19fccd9b8326ba0553f52ff8368a22df60769967 authored over 2 years ago by She Zhang <[email protected]>
Improved MAB related logging and automatic MAB scheme detection (#229)

* Improved logging for the MAB scheme and MAB bin mapper detection

* allowed binning to be mi...

github.com/westpa/westpa - e7c188eb5ae0fd4c725b99160e1086a2c28b36b9 authored over 2 years ago by She Zhang <[email protected]>
Skip auxiliary dataset if the dataset does not exist in west.h5 (as opposed to triggering an error in h5py) (#236)

* setting aux_data to None if the dataset does not exist in west.h5 (as opposed to triggering an...

github.com/westpa/westpa - 3dc821cedd60b7bf4807d4b4932901caa20d67a8 authored over 2 years ago by She Zhang <[email protected]>
modified README for sphinx and project for interim 2.0 dev releases (#233)

github.com/westpa/westpa - d143cd576e2a54dadb22396f2f722ce542c4080f authored almost 3 years ago by Jeremy Leung <[email protected]>
Fixing w_trace for WESTPA 2.0 (#235)

* fix w_trace output

* w_trace fix2

* prelim fix to w_trace

* rewritten test for w_trac...

github.com/westpa/westpa - 8429b0c63f6be67f91af34d2c25b632d490716cb authored almost 3 years ago by Jeremy Leung <[email protected]>
Allow WESS plugin to use a different binning scheme than the one used by simulation (#231)

* Added an optional parameter to wess driver plugin for assigning custom bins

* allow passing...

github.com/westpa/westpa - ad3ca1647e41c9fe99370bf76eee4ddbc1a7d988 authored almost 3 years ago by She Zhang <[email protected]>
decoupling all plugins in westext (#230)

github.com/westpa/westpa - 30d772d16a7e7cdd1984f466ce528c20ecbb12da authored almost 3 years ago by Jeremy Leung <[email protected]>
Bug fixes for the HDF5 framework (#227)

* fix

* Added version history for version 8

* initial commit for the HDF5 trajectory loade...

github.com/westpa/westpa - 94f1546f4f4b1f014a33da70bd907c5dbfe6a571 authored almost 3 years ago by She Zhang <[email protected]>
Fix for issue #225 (#226)

* Fix 'num_iterations' attribute of Run.

* Refactor Walker.children for performance.

* Rev...

github.com/westpa/westpa - 695b7492040215368be21b9d27f2c4d5fc56eac4 authored almost 3 years ago by Jeff Thompson <[email protected]>
HDF5 Trajectory loader using the analysis API and a minor bug fix (#217)

* fix

* Added version history for version 8

* initial commit for the HDF5 trajectory loade...

github.com/westpa/westpa - 70ffc546c745091e12e9b1a208e04d06b7e993a3 authored almost 3 years ago by She Zhang <[email protected]>
Making Start States Compatible with the HDF5 Framework (#222)

* made sim_manager.initialize() arguments explicit in w_init

* fix start states compatibility...

github.com/westpa/westpa - 176d7ac9624fdc36c722e38bec27a22948835e1e authored almost 3 years ago by Jeremy Leung <[email protected]>
Fix BasicMDTrajectory reader (#219)

* Add 'auxiliary_data' property to Walker.

* Remove dependence of BasisMDTrajectory on (possi...

github.com/westpa/westpa - 1f4f04518668d52e5d87176d3aab6935ad1884f3 authored about 3 years ago by Jeff Thompson <[email protected]>
Small fix to haMSM restarting doc page (#218)

* Fixed some incorrect formatting in hamsm doc page

Co-authored-by: John Russo <[email protected]...

github.com/westpa/westpa - 072236178f2d5f689c3776f3d2e76b2b0e2265a4 authored about 3 years ago by JD Russo <[email protected]>
haMSM Restarting Plugin (#214)

* Moved initialization functionality out of w_init entry_point, and removed mock.patch usage fro...

github.com/westpa/westpa - d738f18eb030482fcd0e5832a0b301a88baa669f authored about 3 years ago by JD Russo <[email protected]>
add python 3.10 to the list for CI (#215)

* add python 3.10 to the list for CI

* revert to py3.8 for install CI check

github.com/westpa/westpa - bbf48983a506276ac96a60f13d828f158bb08a9f authored about 3 years ago by Jeremy Leung <[email protected]>
Update westpa.analysis subpackage (#216)

* In Run.summary, remove the final (incomplete) iteration, and use 1-based row indices.

* Avo...

github.com/westpa/westpa - 69a7f2f4d3dcc7ed73e7b55241a1195279a4f78c authored about 3 years ago by Jeff Thompson <[email protected]>
Fix KeyError in WESTDataManager.get_initial_states(). (#195)

Double checked and this fix should be correct.

github.com/westpa/westpa - faf57009f2a63affda8a1bdbe5b5f6f54066b395 authored about 3 years ago by Jeff Thompson <[email protected]>
Integrated MAB binning into default WESTPA binning options (#206)

* Integrated MAB binning into default WESTPA binning options

* Bug fixes, formatting, and cod...

github.com/westpa/westpa - dcb2d0bf7d8601f03db8f48b9f0d49b059d64a50 authored about 3 years ago by Anthony Bogetti <[email protected]>
Integrated RED scheme rate estimation as the w_red tool. (#207)

* Integrated RED scheme rate estimation as the w_red tool.

* added w_red autodoc

* added d...

github.com/westpa/westpa - f5f05cc4e66512d23acab9de8c8551624d064eb8 authored about 3 years ago by Anthony Bogetti <[email protected]>
Fix for CI failure while linting with black (#212)

* up version of pre-commit-hooks,black and flake8

* up flake8 to 4.0.1

* fixed test_kineti...

github.com/westpa/westpa - e81356f6af93647d0d0c57f4092b4f23187e6752 authored about 3 years ago by Jeremy Leung <[email protected]>
added no-reweight option to w_multi_west (#190)

* added no-reweight option to w_multi_west

* fixed multi_west test

* w_multi_west document...

github.com/westpa/westpa - db1b30beda9debb41010371f720fd80f04272d0e authored about 3 years ago by Jeremy Leung <[email protected]>
Removing Miniconda install script + CI Fix (#209)

* removed miniconda install script

* Removed references to Delta in plothist

github.com/westpa/westpa - 0885211ad6224ba698f4b3d09a17e6a24783fd06 authored about 3 years ago by Jeremy Leung <[email protected]>
Allowing specifying a RecursiveBinMapper in west.cfg and load plugins from the API directly (#205)

* Allow specifying RecursiveBinMapper in west.cfg

* removed debug message

* allow load_plu...

github.com/westpa/westpa - ca5a629c6fc93cdcc1be679f0b7b59e4abab2716 authored about 3 years ago by She Zhang <[email protected]>
fix mdtraj duplicate requirements (#198)

github.com/westpa/westpa - c08ebea83354302d196fabe9eb8dab32e780ca18 authored over 3 years ago by Jeremy Leung <[email protected]>
Changing y-axis label for plothist 'energy' mode (#202)

* Made axid label for 'energy' consistent with the rest

* Made axis label for 'energy' consis...

github.com/westpa/westpa - f85dc659a3a652d548aa45f7d7e1f01912f3c64c authored over 3 years ago by Anthony Bogetti <[email protected]>
Change Trajectory.segment_collector from cached_property to property. (#199)

github.com/westpa/westpa - c9902ed4563488e9556852daa9eadc8f2cf65a86 authored over 3 years ago by Jeff Thompson <[email protected]>
Merge pull request #201 from atbogetti/westpa-2.0-restruct-tracefix

Fixed a bug in w_trace that resulted from h5py 3.0 upgrade

github.com/westpa/westpa - 0db1dd84ef1b6356c6ffffec24e58f4dcc45a43a authored over 3 years ago by Jeremy Leung <[email protected]>
Fixed a bug in w_trace that resulted from h5py 3.0 upgrade

github.com/westpa/westpa - 5596e3c4da6f2b9fbfd6e8fa6a9cf5a6af93e1db authored over 3 years ago by Anthony Bogetti <[email protected]>
Added version history for WEST HDF5 version 8 and a minor bug fix (#197)

* fix

* Added version history for version 8

Co-authored-by: She Zhang <she.zhang@eyesopen....

github.com/westpa/westpa - 89bc767a276877e475480350f3f7d924b706586a authored over 3 years ago by She Zhang <[email protected]>
New Badge and lint fix for README.rst

Necessary to publish on pypi

github.com/westpa/westpa - 74104b8c0189698a5c9c3b9549626e5701029071 authored over 3 years ago by Jeremy Leung <[email protected]>
Merge pull request #196 from SHZ66/hdf5

Docstring for HDF5 framework-related functions and classes

github.com/westpa/westpa - 0b21d9a466ca2575589309fb10c7208cbdc2c14a authored over 3 years ago by JD Russo <[email protected]>
more detailed documentation

github.com/westpa/westpa - a5b2f0be5582c1c268547e0bea5f498f875629b7 authored over 3 years ago by She Zhang <[email protected]>
Added docstrings for HDF5 related functions

github.com/westpa/westpa - 187fc3462bdb39d46fd96edeafc148ec89d188bb authored over 3 years ago by She Zhang <[email protected]>
Hotfix: remove h5 formats from topology list (#194)

Co-authored-by: She Zhang <[email protected]>

github.com/westpa/westpa - c5bc1f7a19eef9988958bbac74a730829f5b7a91 authored over 3 years ago by She Zhang <[email protected]>
remove h5 formats from topology list

github.com/westpa/westpa - 0852f97ac40811dc78b9128a215e281b8ebcf8e8 authored over 3 years ago by She Zhang <[email protected]>
Analysis module refactoring (#193)

* Improve performance of Run/Iteration 'recycled_walkers' property. Remove Walker.stopped_in(). ...

github.com/westpa/westpa - 917ffae781e828af34cd6fb03be0feb531dc26f8 authored over 3 years ago by Jeff Thompson <[email protected]>
Merge pull request #189 from SHZ66/hdf5

HDF5 Framework

github.com/westpa/westpa - 522996b041b5eedab8bafd55a8d35c6d75282379 authored over 3 years ago by JD Russo <[email protected]>
Merge branch 'westpa-westpa-2.0-restruct' into hdf5

github.com/westpa/westpa - 6f6baba42a7636b7a31c162d5872c1c8c3a02e52 authored over 3 years ago by She Zhang <[email protected]>
Merge branch 'westpa-2.0-restruct' of https://github.com/westpa/westpa into westpa-westpa-2.0-restruct

github.com/westpa/westpa - 3b0fc78fcec33c1908128bc1379823f0132c63cb authored over 3 years ago by She Zhang <[email protected]>
Merge pull request #191 from jeremyleung521/redundant_hash_fix

Rolling back binhash fix from #186

github.com/westpa/westpa - d9da04365ff645547fce9666e3483e2830550abd authored over 3 years ago by Jeff Thompson <[email protected]>
roll back redundancy first

github.com/westpa/westpa - 411b10fbf3b241a049b52fbc41abfcf87d3a5fe7 authored over 3 years ago by jml230 <[email protected]>
allow topology to be optional when the trajectory format has builtin topology

github.com/westpa/westpa - 722a27960aed3bb20432edd406cf035d2d0dda32 authored over 3 years ago by She Zhang <[email protected]>
Analysis module (#183)

* First commit

* Added previous/next links to iterations. Some additional reorganization.

...

github.com/westpa/westpa - dd90fe03e55b823f0592e90f5475ce47693acad3 authored over 3 years ago by Jeff Thompson <[email protected]>
Kinetics Tool fix (Numpy 1.19 deprecation) (#188)

* fix numpy 1.19 deprecation

* fixed progress bar in kinetics_tool

github.com/westpa/westpa - 5b0a5860c8e0af3ee598794dcb3cadf6c030e0ee authored over 3 years ago by Jeremy Leung <[email protected]>
w_bins fix + rebin n-iter option (#184)

github.com/westpa/westpa - 4d23e31f5fe715fd95e2e97e1324248a2518a0d4 authored over 3 years ago by Jeremy Leung <[email protected]>
reformatting

github.com/westpa/westpa - 7ce2256aea4703acb8ea015029013f918b97d0e2 authored over 3 years ago by She Zhang <[email protected]>
Added mdtraj to test env

github.com/westpa/westpa - 114356b9d44bfce4a127bbd2ff4079eed9c55329 authored over 3 years ago by She Zhang <[email protected]>
more fixes

github.com/westpa/westpa - 82755cc56e3faa96919ef1099237d05d771cac08 authored over 3 years ago by She Zhang <[email protected]>
more fixes

github.com/westpa/westpa - 4325712150171a883df99d89131c6848aef55f65 authored over 3 years ago by She Zhang <[email protected]>
added mdtraj to setup requirements

github.com/westpa/westpa - 81451170de292bda6e3e05b1b72da864e225df37 authored over 3 years ago by She Zhang <[email protected]>
minor fixes

github.com/westpa/westpa - 8dd626a75da61d347ffa50ebebfd65c39b63f5b5 authored over 3 years ago by She Zhang <[email protected]>
Added a default loader for the H5 framework

github.com/westpa/westpa - c42144015d1e5d20b085763cd032fda23a431e50 authored over 3 years ago by She Zhang <[email protected]>
minor tweaks to get webng working (#186)

* minor tweaks to get webng working

* ran black on changes

* removing unneccessary module ...

github.com/westpa/westpa - 955aa1205fa42b2a675ac0abec6b7034efcbd1a5 authored over 3 years ago by Ali Sinan Saglam <[email protected]>
added requirements for the HDF5 framework

github.com/westpa/westpa - 34bc1c5548099371c7b9065b229cb91c45a882e7 authored over 3 years ago by She Zhang <[email protected]>
several fixes and improvements to the HDF5 framework

github.com/westpa/westpa - 88e0ed52920f94445c2d6f0b3794a37b8e675ccd authored over 3 years ago by She Zhang <[email protected]>
Merge pull request #18 from jpthompson17/westpanalysis

Westpanalysis

github.com/westpa/westpa - a062a55a4b0554e4b2b9bfb487e81a683e1fc878 authored over 3 years ago by She Zhang <[email protected]>
Merge pull request #17 from westpa/westpa-2.0-restruct

Westpa 2.0 restruct

github.com/westpa/westpa - 72694111b6faf70ed8c9c895e93d1545cc5c22bb authored over 3 years ago by She Zhang <[email protected]>
analysis.core: Fixed bug in *_states properties of Iteration. This bug arose as a result of changing the type of the *_state_info properties from a np.array to a pd.DataFrame.

github.com/westpa/westpa - 021fe1e415df788ec46a39dd8fc09bcdf24aabca authored over 3 years ago by Jeff Thompson <[email protected]>
Merge pull request #159 from jdrusso/python-api

Removed initialization logic from w_init entry point

github.com/westpa/westpa - 56c13117097a12fb089a3f5474b5c551888906e6 authored over 3 years ago by Jeremy Leung <[email protected]>
added mdtraj as a dependency

github.com/westpa/westpa - 568449452375139778e27da97135290d14672002 authored over 3 years ago by She Zhang <[email protected]>
Added basic API documentation for westpa.analysis package.

github.com/westpa/westpa - a5861b04752a7b2378e6e017c411d71e7407195a authored over 3 years ago by Jeff Thompson <[email protected]>
Added tqdm to test_env.yaml dependencies.

github.com/westpa/westpa - ec9c8c6866fa748c943197965d23e67a50427185 authored over 3 years ago by Jeff Thompson <[email protected]>
Revised README.

github.com/westpa/westpa - 9a85d60ee1323a03414d43a421900c070ee69b31 authored over 3 years ago by Jeff Thompson <[email protected]>
Reformatting and linting.

github.com/westpa/westpa - 3b88fafc0c3530d0c26d5ba0947042175116a59a authored over 3 years ago by Jeff Thompson <[email protected]>
Added tqdm to install requirements.

github.com/westpa/westpa - d57d6799e4aeceb620a3d97d16603929654b6cb6 authored over 3 years ago by Jeff Thompson <[email protected]>
Added num_walkers() method to Run class.

github.com/westpa/westpa - 25f2b0d6dd06ae42cc254722621d2e3bde0024ae authored over 3 years ago by Jeff Thompson <[email protected]>
WESTPA 2.0 byte string fix (#179)

* minimum setuptools version to support pyproject.toml

* try with __legacy__ tag

* Typo: C...

github.com/westpa/westpa - 05e8be15310d24c84172454ba819285bdac802a1 authored over 3 years ago by Jeremy Leung <[email protected]>
Merge pull request #141 from synapticarbors/westpa-2.0-stringmethod-plugin

Convert string method plugin to WESTPA 2.0 and fixes circular import.

github.com/westpa/westpa - 305b3892ca8ee87a4b91b4829304c6e47439f535 authored over 3 years ago by Jeremy Leung <[email protected]>
Revised README

github.com/westpa/westpa - 788e45de0877047057462d47ab558c0770ed1dfa authored over 3 years ago by Jeff Thompson <[email protected]>
Revised README

github.com/westpa/westpa - 2ce680c836989013eb054f92798301f690b97689 authored over 3 years ago by Jeff Thompson <[email protected]>
Added documentation status to README.rst

github.com/westpa/westpa - 408c12f9dfcf0db5606491e93abfeafc649d56a6 authored over 3 years ago by Jeremy Leung <[email protected]>
Merge remote-tracking branch 'upstream/westpa-2.0-restruct' into westpa-2.0-stringmethod-plugin

github.com/westpa/westpa - 4690890bfd3beed9e9b5b38f49fd7a2ee8ffab26 authored over 3 years ago by Joshua L. Adelman <[email protected]>
Merge pull request #180 from jdrusso/westpa-2.0-restruct

Updated plugins to westpa 2.0-compatible imports

github.com/westpa/westpa - 29995aa841d1cc64ce39ba8174f035b036d957d8 authored over 3 years ago by Jeremy Leung <[email protected]>
Updated plugins to westpa 2.0-compatible imports

github.com/westpa/westpa - 6c1716e3dee86e97f79799603aacc3a6d7fed14e authored over 3 years ago by John Russo <[email protected]>
Added union() method to Bin and BinUnion. Added max_size parameter to Trace.

github.com/westpa/westpa - 61f72c36d4b450626074d3c1e07a4018766d5606 authored over 3 years ago by Jeff Thompson <[email protected]>
Merge pull request #177 from SHZ66/h5py-bugfix

HDF5 bug fix -- Checked and deemed ready to merge.

github.com/westpa/westpa - 7d3bfc181aa4a6c1c449200e745a43f03d133c83 authored over 3 years ago by Jeremy Leung <[email protected]>
Added support for fast concatenation of MDTraj trajectories, provided MDTraj is available.

github.com/westpa/westpa - 462c45dd838c2cd458b71ba1e46e8ee646bda4e4 authored over 3 years ago by Jeff Thompson <[email protected]>
Fixed error in Trace.__init__(). Fixed progress bar issue when using multiple threads to retrieve trajectory segments.

github.com/westpa/westpa - 78b551cf81a29150129f211bebb0d2b789702463 authored over 3 years ago by Jeff Thompson <[email protected]>
Revised Trajectory class docstring.

github.com/westpa/westpa - 706797527a884bbe84e8ed6673588944afafa5d0 authored over 3 years ago by Jeff Thompson <[email protected]>
Removed properties, decorators, and observables modules. Removed walker_property() decorator. Added statistics.time_average() function. Added Walker.stopped_in() method.

github.com/westpa/westpa - 531d6009ca2ce2b023d036f755ce4552e80def9e authored over 3 years ago by Jeff Thompson <[email protected]>
Revised README

github.com/westpa/westpa - 9346a9bcb5a4faf68f6dc5e88a11d8645ea34082 authored over 3 years ago by Jeff Thompson <[email protected]>
Revised README

github.com/westpa/westpa - 6effd3b5da2092750e9a6043ac463f9872c9d33d authored over 3 years ago by Jeff Thompson <[email protected]>
WalkerProperty: Changed weighted_average() to average().

github.com/westpa/westpa - b8fff9a469900c8ec7fd6f172b42861b8a35c8e8 authored over 3 years ago by Jeff Thompson <[email protected]>
Removed mean() method from Property descriptor.

github.com/westpa/westpa - e5cd82a44ffe3758f0edf46abe22ec418008e590 authored over 3 years ago by Jeff Thompson <[email protected]>
Removed _type_checked_generator() from properties module. Fixed a typo in trajectory_segment() decorator docstring.

github.com/westpa/westpa - b20c7ea42b96810662fdbdc3a49ed055300c1737 authored over 3 years ago by Jeff Thompson <[email protected]>
Added methods for computing max/min, argmax/argmin, and weighted averages of walker properties.

github.com/westpa/westpa - 8036a4e7e9c0d66e9752bf158d7279cbb9df9dd4 authored over 3 years ago by Jeff Thompson <[email protected]>
Changed 'segment pcoords' to 'walker pcoords'. Revised Trace class docstring.

github.com/westpa/westpa - 178e4af089da1c21e293a992c1e075285292d9db authored over 3 years ago by Jeff Thompson <[email protected]>
Added concatenator parameter to Trajectory descriptor.

github.com/westpa/westpa - f076b81cabcf902dc654067f477c89326d5348e0 authored over 3 years ago by Jeff Thompson <[email protected]>
Renamed Segment to Walker. Replaced TrajectoryConcatenator with SegmentCollector and transferred responsibility for concatenation of segments to the Trajectory descriptor. Included an option to show a progress bar when retrieving multiple trajectory segments.

github.com/westpa/westpa - 08ae413e7753fc81694d0658f61c1e219bdbb189 authored over 3 years ago by Jeff Thompson <[email protected]>
Removed Run -> FileLinkedDSSpec inheritance.

github.com/westpa/westpa - 670fbed1f8dd0f05d923728d94eecec443366b9a authored over 3 years ago by Jeff Thompson <[email protected]>