Ecosyste.ms: OpenCollective

An open API service for software projects hosted on Open Collective.

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

Squashing w_multi_west bugs (#365)

* squashing w_multi_west bugs.

* update tests for w_multi_west and removing unused code.

*...

github.com/westpa/westpa - 37a4ceff38270f40e8ab564f43a796b70476291f authored 10 months ago by Jeremy M. G. Leung <[email protected]>
Bump conda-incubator/setup-miniconda from 2 to 3 (#364)

Bumps [conda-incubator/setup-miniconda](https://github.com/conda-incubator/setup-miniconda) from...

github.com/westpa/westpa - 9d61d81c68b2909067537efa987c6322732b6830 authored 10 months ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
[pre-commit.ci] pre-commit autoupdate (#362)

updates:
- [github.com/psf/black-pre-commit-mirror: 23.10.1 → 23.11.0](https://github.com/psf/b...

github.com/westpa/westpa - 4934c213af026b89350b49758e4239d04cd4d95b authored 11 months ago by pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Documentation typo fixes (#361)

* fix gh actions badge

* fix broken link in hamsm documentation

github.com/westpa/westpa - d592b8a9273588d32e752e11240e2c8a17f939f7 authored 11 months ago by Jeremy M. G. Leung <[email protected]>
remove complicated pytables version requirement (#360)

github.com/westpa/westpa - 47007737256600ae008802d16de72f8f3f5251ce authored 12 months ago by Jeremy M. G. Leung <[email protected]>
[pre-commit.ci] pre-commit autoupdate (#359)

updates:
- [github.com/psf/black-pre-commit-mirror: 23.10.0 → 23.10.1](https://github.com/psf/b...

github.com/westpa/westpa - fd595ec58f9b5331b7ddf4e4dca6799ffb7ae6bd authored 12 months ago by pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
[pre-commit.ci] pre-commit autoupdate (#358)

updates:
- [github.com/psf/black-pre-commit-mirror: 23.9.1 → 23.10.0](https://github.com/psf/bla...

github.com/westpa/westpa - f0013c680f9fe6f50705b7fbd52046893f6a007e authored 12 months ago by pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Merge branch 'develop' of ssh://github.com/westpa/westpa into westpa2

github.com/westpa/westpa - ef5fbd3e0aeb4d08160fc56ee39cca6ba75e3217 authored 12 months ago by jml230 <[email protected]>
MAB bin boundary output to text file (#357)

* Add bin_log functionality

github.com/westpa/westpa - c753f091195a8c0506713e1c82e80b2b0d7a2f75 authored 12 months ago by Jeremy M. G. Leung <[email protected]>
add pytest-timeout as an optional dependency (#356)

github.com/westpa/westpa - c1e65e829b8b77decd52aff5e4006982904ee59b authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Python 3.12 Testing (#355)

* include py3.12 in testing (but not building)

github.com/westpa/westpa - 2a65299ed933b713735263695f3ce005e8a0faba authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Pushing Develop changes to westpa2 (#353)

* Bump pypa/cibuildwheel from 2.15.0 to 2.16.1 (#346)

Bumps [pypa/cibuildwheel](https://githu...

github.com/westpa/westpa - b606f6ba10a79d59a6d5c8824a562c6d97642bbc authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
[pre-commit.ci] pre-commit autoupdate (#354)

updates:
- [github.com/pre-commit/pre-commit-hooks: v4.4.0 → v4.5.0](https://github.com/pre-com...

github.com/westpa/westpa - 546405c13ff9c434ac3790712e8cbc759eab8d17 authored about 1 year ago by pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Pinning Pytables to < 3.9 for python <3.9 (#352)

* make pyproject.toml version pinning more readable

* pin pytables to < 3.9 for python <= 3.8...

github.com/westpa/westpa - b3f24c7ef15939a6bd60670f3b7b6909e829d5cc authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Pinning Cython <3.0.3 for Python <3.10 (#350)

* pin cython to certain versions for <py3.9

* looser pinning at cython<3.0.3

github.com/westpa/westpa - da46c0ba702145431a063fe3a22e6d3918316ebe authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
configure secretless-push to pypi/test.pypi (#348)

github.com/westpa/westpa - 848b6f153f849a67eb39e15989ec63dd52370560 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Bump actions/checkout from 3 to 4 (#347)

Bumps [actions/checkout](https://github.com/actions/checkout) from 3 to 4.
- [Release notes](ht...

github.com/westpa/westpa - be9a6e27d585a1b358d22c780be9c4b9093cb696 authored about 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Bump pypa/cibuildwheel from 2.15.0 to 2.16.1 (#346)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.15.0 to 2.16.1.
- [Relea...

github.com/westpa/westpa - d1b6106eea5dc1d87c0ec22ffb9b006398091724 authored about 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Merge pull request #345 from westpa/develop

Pushing Develop changes into westpa2

github.com/westpa/westpa - 2a5f0ae7c2674f0f35503fb3296019dc0139092e authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge branch 'westpa2' of github.com:westpa/westpa into develop

github.com/westpa/westpa - c980ced6a73da8a8d7766efa45c84293b24f97a9 authored about 1 year ago by Jeremy Leung <[email protected]>
add check for hdf5 where formats can be both topology and traj (#344)

github.com/westpa/westpa - e0eaf23927c5630572dfae9b4f53fbefcc81578c authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
[pre-commit.ci] pre-commit autoupdate (#343)

* [pre-commit.ci] pre-commit autoupdate

updates:
- [github.com/psf/black: 23.7.0 → 23.9.1](h...

github.com/westpa/westpa - 6988f5046122952e60c97f3c72b675d1872d775e authored about 1 year ago by pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Bump pypa/cibuildwheel from 2.14.1 to 2.15.0 (#342)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.14.1 to 2.15.0.
- [Relea...

github.com/westpa/westpa - 2dd8235535b80d04885947e5d375e38e6544401c authored about 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
update w_truncate page (#341)

github.com/westpa/westpa - 6ee11e2e96a5a405085eeab08c0095c6a424a9a9 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
mark shutdown tests as flaky for macos (#340)

github.com/westpa/westpa - 62a8b5cf6f274787c8f1c57c71d2a18804982f02 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge pull request #339 from westpa/develop

Pushing recent `develop` changes to `westpa2`

github.com/westpa/westpa - 85ed1c54159d639d2fcb9e23c45f93743bfed2e0 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Pre commit version autoupdate (#338)

* pre-commit autoupdate

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more in...

github.com/westpa/westpa - 661ee1aae1429434f26a0fc8e4d27a9acf50432c authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Fix for istate_futures race condition (#334)

* added a while block for mab_manager and binless_manager to wait for istates_futures

* add i...

github.com/westpa/westpa - 2a4f1b49fe3cf2f31fe6095e0993e2c3299bdd0e authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge pull request #337 from westpa/develop

Update westpa2 branch with newest changes

github.com/westpa/westpa - 88e2fea6caaf2cc10da2255c54802d35ad0f4644 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
update sphinx doc config (#336)

github.com/westpa/westpa - d3e7bcd823a570b713071c8e9c1b416d89dd4d1c authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Add MacOS Tests to GH Actions (#335)

* add in pytest-rerunfailures and remove nose

* test on macOS too!

* reverse github action...

github.com/westpa/westpa - 5fd4bd067096eb0b60f2cc081378efa8748b52eb authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
update cibuildwheel 2.14.1, remove py3.7 wheel build (#332)

github.com/westpa/westpa - be3030b806f1068ae8d45f299baf30d27ac56f17 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge pull request #330 from westpa/develop

v2022.05 release

github.com/westpa/westpa - e022c31147cf74334878926977dfc28a6dbf3bfc authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Allow GH Actions to build wheels for python 3.11 (#329)

* add py3.11 to wheel building

github.com/westpa/westpa - 55ca4c3e71e0543b6b46da7ca9bc1091ca35ed02 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge pull request #328 from westpa/develop

Prep for v2022.05 release

github.com/westpa/westpa - 3fcfe0fdbe210f66050b9d46650a6903d37bf442 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Lower smallest allowed weight default (#327)

* force smallest allowed weight to 1e-320 instead of 1e-323

* 1e-310 threshold instead. Rough...

github.com/westpa/westpa - c29fa49a8f2d513092da1b5ccdfb42046bf4c624 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
GH Actions workflow update (#325)

* update gh-actions tests to run weekly

* update verify dev-env to py3.11

* tests update t...

github.com/westpa/westpa - b063659fbe1912eab23e9298460d89c1fb178911 authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Fix Cython3 bug (#324)

* force cython < 3 for now

* bug fix... apparently it's an import order thing

github.com/westpa/westpa - ffafa881877a85a34e70aa9eb0bc5e781705388e authored about 1 year ago by Jeremy M. G. Leung <[email protected]>
Merge pull request #322 from westpa/develop

Merging develop changes into westpa2

github.com/westpa/westpa - 99eb614ce548431e364565ca4be50e04d8f1e9d1 authored over 1 year ago by Jeremy Leung <[email protected]>
allow npy_loader to load pickled npy files (#317)

* allow npy_loader to load pickled npy files

* added loader tests

* lint for test_loaders
...

github.com/westpa/westpa - 4220a4a528d9f92263c73c98b5dbc6ef19caf3dd authored over 1 year ago by Jeremy Leung <[email protected]>
Bump pypa/cibuildwheel from 2.13.0 to 2.13.1 (#319)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.13.0 to 2.13.1.
- [Relea...

github.com/westpa/westpa - 92fdcb66af2edd6c24c36f47f666a181cb9c3e48 authored over 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
w_truncate CLI option to specify H5 filename (#318)

* -W option for w_truncate

* lint

* w_truncate test update

github.com/westpa/westpa - bce54a0dfe4b0dc456e3c3818172589b91a2a529 authored over 1 year ago by Jeremy Leung <[email protected]>
RC fixes (#313)

* rc fixes

* minor fix

---------

Co-authored-by: She Zhang <shz620@DESKTOP-CIELO>

github.com/westpa/westpa - 02aeae71dc71ea0ff266e022cc2c74ae3790214b authored over 1 year ago by She Zhang <[email protected]>
Bump pypa/cibuildwheel from 2.12.3 to 2.13.0 (#314)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.12.3 to 2.13.0.
- [Relea...

github.com/westpa/westpa - 3448684121f33df197f7afe8944896f6695c42e1 authored over 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Merge pull request #312 from westpa/develop

Pushing CI build fixes to westpa2

github.com/westpa/westpa - e4b9fe539666a3b333ca8805a9ac65793ed9dc6c authored over 1 year ago by Jeremy Leung <[email protected]>
Build-CI fix (#311)

* fix CI-build workflow

github.com/westpa/westpa - d80dbe2e29a86d905e32c7ce68e4074fb381c55d authored over 1 year ago by Jeremy Leung <[email protected]>
Bump pypa/cibuildwheel from 2.12.1 to 2.12.3 (#310)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.12.1 to 2.12.3.
- [Relea...

github.com/westpa/westpa - 02f353be25caa5a1c5c9554d569e1a01e518cf34 authored over 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Merge pull request #309 from westpa/develop

Pushing develop changes to westpa2

github.com/westpa/westpa - 056d496bde668535db658d43d0b7dfd09c0fcff4 authored over 1 year ago by Jeremy Leung <[email protected]>
ISTATE_DTYPE backwards compat with w_multi_west (#307)

* fix ibstates option to account for mismatch dtype

* turn into basis_auxref into empty bytes...

github.com/westpa/westpa - 7db544b144cea367746bdaaf4fd9d654e58e0ad2 authored over 1 year ago by Jeremy Leung <[email protected]>
Bump pypa/cibuildwheel from 2.12.0 to 2.12.1 (#306)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.12.0 to 2.12.1.
- [Relea...

github.com/westpa/westpa - 7185a45db0342e7f8c5d949df0a7bf721d1a837c authored over 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
critical bug fix to data manager when getting a subset of the segments (#304)

Co-authored-by: She Zhang <shz620@DESKTOP-CIELO>

github.com/westpa/westpa - 937720364e1fcc4d718b1520bd624f001e7d6836 authored over 1 year ago by She Zhang <[email protected]>
Fixed a bug in the MAB scheme code when skip is None (#303)

* bug fix in the MAB scheme code

* changed the default value from False to 0 in MAB code

-...

github.com/westpa/westpa - 2ba4322757f726cbbe13afea83ae5bf61183cdca authored over 1 year ago by She Zhang <[email protected]>
Make DataManager use its own rc instead of the global one (#302)

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

github.com/westpa/westpa - b6dbc7e892c1e1909b5736086eab3c14b49c9591 authored over 1 year ago by She Zhang <[email protected]>
Merge pull request #300 from westpa/develop

Push develop to westpa2 (versioneer version update)

github.com/westpa/westpa - c5ee2fcdb8b82ee3cbfd2894065a375157a6ba75 authored over 1 year ago by Jeremy Leung <[email protected]>
update versioneer to v0.28 (#299)

* update versioneer to v0.28

* remove redundant get_versions

github.com/westpa/westpa - 9f479e6afa11923419460a21e287bd990630086a authored over 1 year ago by Jeremy Leung <[email protected]>
Merge pull request #298 from westpa/develop

Bump pypa/cibuildwheel from 2.11.4 to 2.12.0 (#297)

github.com/westpa/westpa - eb17443761488f0fd3a337e3d206703ad0927709 authored over 1 year ago by Jeremy Leung <[email protected]>
Bump pypa/cibuildwheel from 2.11.4 to 2.12.0 (#297)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.11.4 to 2.12.0.
- [Relea...

github.com/westpa/westpa - 52f9df5f49b1fdc461da236b2cdc50dbad2af241 authored over 1 year ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Merge pull request #291 from westpa/develop

Merging develop changes to westpa2

github.com/westpa/westpa - 3e1353c999d4f0717b0192135a872499764e3c8c authored over 1 year ago by Jeremy Leung <[email protected]>
fix w_multi_west logic which combines istates (#295)

github.com/westpa/westpa - 199b0311d3ae43b6663ac29bd0d2c6cf9d8cd952 authored over 1 year ago by Jeremy Leung <[email protected]>
fix double-loaded data loaders + refactoring all possible data loaders into a dictionary for easy check (#293)

fixes #115

github.com/westpa/westpa - 61e862be5f2d335b0e53a75252efec56ab774a4d authored over 1 year ago by Jeremy Leung <[email protected]>
Move All CI tests to Mamba Forge (#292)

* change to mambaforge for CI tests

* test on py3.11 but don't build wheels yet due to MDTraj

github.com/westpa/westpa - f2040217f83c4c524642806c980d12e77e8f70bd authored over 1 year ago by Jeremy Leung <[email protected]>
removed instances of np.float, np.bool, np.int due to removal in numpy 1.24 (#289)

github.com/westpa/westpa - 6a7ff038eae6989d764be3b34c3ea1a27ecfe939 authored almost 2 years ago by Jeremy Leung <[email protected]>
CVE-2007-4559 Patch (Develop Branch) (#287)

* Adding tarfile member sanitization to extractall()

* lint

* Create codeql.yml

* move ...

github.com/westpa/westpa - 846483dda30de723eefae5f5639de4db04882173 authored almost 2 years ago by Jeremy Leung <[email protected]>
Bump pypa/cibuildwheel from 2.11.2 to 2.11.4 (#288)

Bumps [pypa/cibuildwheel](https://github.com/pypa/cibuildwheel) from 2.11.2 to 2.11.4.
- [Relea...

github.com/westpa/westpa - 17200a956c344f6442be2e0132b337903a71ffb7 authored almost 2 years ago by dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Combine ibstates dataset in w_multi_west (#285)

* remove licensing info in w_multi_west

* initial working that saves the ibstates if and only...

github.com/westpa/westpa - 5263bc205b563007636d77d9e249568a7cb9dc6f authored almost 2 years ago by Jeremy Leung <[email protected]>
Merge pull request #282 from westpa/develop

Merging develop into westpa2

github.com/westpa/westpa - e586db6321aa2d4a76aec2fe9acbd932ba9e1f46 authored almost 2 years ago by Jeremy Leung <[email protected]>
Merge pull request #283 from jeremyleung521/develop-test

PR to fix merge conflict issues (#282).

github.com/westpa/westpa - 503edbc84673ce373273ce35c8c7255461f4fc16 authored almost 2 years ago by Jeremy Leung <[email protected]>
Merge branch 'westpa2' of ssh://github.com/westpa/westpa into develop-test

github.com/westpa/westpa - 2bffe96de029e6b0fdabfa5fc415467f2ddc5cc3 authored almost 2 years ago by jml230 <[email protected]>
Bump pypa/cibuildwheel from 2.11.1 to 2.11.2 (Develop Branch) (#281)

* Bump pypa/cibuildwheel from 2.11.1 to 2.11.2

Bumps [pypa/cibuildwheel](https://github.com/p...

github.com/westpa/westpa - e306d831a881093d918d086c8c708371115c17c2 authored almost 2 years ago by Jeremy Leung <[email protected]>
Merging develop into westpa2 (#276)

* update codecov to v2

* Documentation Fix (#257)

* update logo and some little config fix...

github.com/westpa/westpa - 20ed02d595bacd90bb119c57fab655084ad2f248 authored almost 2 years ago by Jeremy Leung <[email protected]>
Merge pull request #278 from jeremyleung521/develop-westpa2-merge-conflict

Resolving develop/westpa2 merge conflict

github.com/westpa/westpa - 63713f6500354c2c062de705e3eaed3530ea3be5 authored almost 2 years ago by Jeremy Leung <[email protected]>
pypa/cibuildwheel version update

github.com/westpa/westpa - b5e053efb625403fcbc9b35f05012ccf44dd5646 authored almost 2 years ago by Jeremy Leung <[email protected]>
Merge branch 'westpa2' of ssh://github.com/westpa/westpa into develop-westpa2-merge-conflict

github.com/westpa/westpa - bef76f65759daf2d18712b478da9599672f6ad07 authored almost 2 years ago by Jeremy Leung <[email protected]>
Fix develop/westpa2 merge conflict (#277)

Resolving merge conflicts between westpa2 and develop branches.

github.com/westpa/westpa - 3551c520188ccaac1c7f6e2f4a5d712e3e433388 authored almost 2 years ago by Jeremy Leung <[email protected]>
modify westpa.analysis's hardcoded bytestring decode to h5io.tostr (#272)

github.com/westpa/westpa - baa3a2fbaec36115cf797bfa4d4331d954337ae2 authored almost 2 years ago by Jeremy Leung <[email protected]>
PRs to develop no longer trigger build (#275)

github.com/westpa/westpa - b199477df534eb8019a1de90ac06f58d6e2b9d5f authored about 2 years ago by Jeremy Leung <[email protected]>
Automating PyPI publishing (#273)

* update test.yaml actions versions

* new GH Actions workflow for making wheels and publishin...

github.com/westpa/westpa - 6dbce311e16fa66ada1744e1814f5753adc42a73 authored about 2 years ago by Jeremy Leung <[email protected]>
Hot Fix for #269 + GH Action CI Fixes (#270)

* add square brackets around nw.weights in sim_manager line 700

* add longer timeout to zmq t...

github.com/westpa/westpa - 38ac5e73279cc092bb4ea83ceee8a323bbdccf38 authored about 2 years ago by Jeremy Leung <[email protected]>
modify so recycling count is not undercounted (#269)

github.com/westpa/westpa - bcce34d0a83c3680d855855f01f4c867374f8788 authored about 2 years ago by Jeremy Leung <[email protected]>
Deprecation Warning and other documentation fixes (#268)

* deprecate w_fluxanl

* make it clear that target state uses entire bin in w_init

* change...

github.com/westpa/westpa - 781f6e4c5fcf02ffa0d917e6f2603a5a33e65e8b authored about 2 years ago by Jeremy Leung <[email protected]>
Pushing develop changes to westpa2 (#267)

* update codecov to v2

* Documentation Fix (#257)

* update logo and some little config fix...

github.com/westpa/westpa - 79fa3a6510ebeb53cc1762d109a38d0efd8a53a1 authored about 2 years ago by Jeremy Leung <[email protected]>
Update README.rst (#265)

Co-authored-by: Lillian Chong <[email protected]>

github.com/westpa/westpa - 4e437a5a86379ce4335e155f17cef3e023e8c440 authored about 2 years ago by Jeremy Leung <[email protected]>
update versioneer to 0.23 to work with PEP660/setuptools 64 (#266)

* update versioneer to 0.23 to work with PEP660

* lint

github.com/westpa/westpa - 9afd380e60b63d1fd255abda03a97f124fcf29ac authored about 2 years ago by Jeremy Leung <[email protected]>
addition of additional data loaders (#264)

github.com/westpa/westpa - 012363855daaf55311841cad6c216ffe8b9695a4 authored about 2 years ago by Jeremy Leung <[email protected]>
w_assign fix for newest pyyaml version load() function deprecation (#263)

* w_assign fix for newest pyyaml version load() function deprecation

* changed yaml.safe_load...

github.com/westpa/westpa - 7d7d080c163f2e3ea2a2fd799ca31205973706fd authored about 2 years ago by Darian Yang <[email protected]>
2022.02 release (#261)

* update codecov to v2

* Documentation Fix (#257)

* update logo and some little config fix...

github.com/westpa/westpa - 87f8d20a979a49fca8db249ecfa98b717c095a18 authored over 2 years ago by Jeremy Leung <[email protected]>
Complete rewrite of weight min/max threshold portions of resampler (#260)

* new implementation of thresholds

* moved threshold checks to their own functions

* initi...

github.com/westpa/westpa - 38cf2ddf58b92ca83ea44980a78cbe5b4d9db3ac authored over 2 years ago by Jeremy Leung <[email protected]>
fixes for mab split and mab_log reporting (#259)

* fixes for mab split and mab_log reporting

* removed dependence on splitting for mab_log

...

github.com/westpa/westpa - d379cf9a1a84c2b7a3f35cc3a260e0521608b874 authored over 2 years ago by Anthony Bogetti <[email protected]>
Set 'istate_status_names' and 'istate_type_names' class attributes. (#258)

* Set 'istate_status_names' and 'istate_type_names' class attributes.

* Add 'ISTATE_xxxx_' pr...

github.com/westpa/westpa - c99c5addd53921cfb944f3fe0cf16d92887f24ea authored over 2 years ago by Jeff Thompson <[email protected]>
Documentation Fix (#257)

* update logo and some little config fixes

* trim down white space in logo

* trim wiki_images

github.com/westpa/westpa - cb00e8203f85c71c3c03982204d5e911f4de73bd authored over 2 years ago by Jeremy Leung <[email protected]>
update codecov to v2 (#256)

github.com/westpa/westpa - a5669801d3742d0540145cdfd4f6cac1e175ff52 authored over 2 years ago by Jeremy Leung <[email protected]>
update codecov to v2

github.com/westpa/westpa - d71f7d71ab215f03f671eed451f316ec0f778af0 authored over 2 years ago by Jeremy Leung <[email protected]>
WESTPA 2.0 Documentation Fix (#232)

* readthedocs title page fix

* modify readme so it's clear what is recommended

* add in WE...

github.com/westpa/westpa - 27bd1e5789af7075e0d86128bb578851d0325f36 authored over 2 years ago by Jeremy Leung <[email protected]>
Westpa2 mab info (#255)

* added mab_log option

* mab.py lint

* refine mab_log to output only at end of iteration
...

github.com/westpa/westpa - 4362b0f92d0f7b13f58442de3a09c8e21335fa58 authored over 2 years ago by Jeremy Leung <[email protected]>
turn off threads for HDF5MDTrajectory() (#254)

github.com/westpa/westpa - 92280977ed0e6d19aa90c0da9d6c0f4a5bb79b18 authored over 2 years ago by Jeremy Leung <[email protected]>
Make bin occupancy reporting accurate for all bin mapper types (#253)

* initial try to fix bin reporting

* fixed init bin reporting and mab bin reporting

* move...

github.com/westpa/westpa - c60917789ed3fd8d5cd3346b718528c2f8f2562e authored over 2 years ago by Anthony Bogetti <[email protected]>
Fixes to Processes Manager on MacOS (#251)

* change it so processes will run with 'fork' on macs

* Added commentary on multiprocessing s...

github.com/westpa/westpa - 0576a50fe3d0a54aa705a8889e54bc965653faed authored over 2 years ago by Jeremy Leung <[email protected]>
bottleneck detection now obeys direction option (#252)

Co-authored-by: Anthony Bogetti <[email protected]>

github.com/westpa/westpa - 1323c517649d7de9777f0b9dd010934f0d8b7cec authored over 2 years ago by Anthony Bogetti <[email protected]>
Fix recycling when using HDF5 Framework (#250)

* added logging details to binless manager and driver

* update to west file version 9 and fix...

github.com/westpa/westpa - 92629aeb8557ec7ba140cab28890de39d8db2c5e authored over 2 years ago by Jeremy Leung <[email protected]>
Port of w_pdist custom weights for WESTPA 2.0 (#249)

* port of w_pdist custom weights

Co-authored-by: ASinanSaglam <[email protected]>

* f...

github.com/westpa/westpa - 747daeeeaa096437493a369780743a331e1740f1 authored over 2 years ago by Jeremy Leung <[email protected]>