René's URL Explorer Experiment


Title: Simulation Setup Wizard by dwhswenson · Pull Request #41 · openpathsampling/openpathsampling-cli · GitHub

Open Graph Title: Simulation Setup Wizard by dwhswenson · Pull Request #41 · openpathsampling/openpathsampling-cli

X Title: Simulation Setup Wizard by dwhswenson · Pull Request #41 · openpathsampling/openpathsampling-cli

Description: This will add an interactive setup wizard to the OPS CLI. The wizard will guide users through the process of setting up simulation objects to use in a simulation, and will save the created objects ...

Open Graph Description: This will add an interactive setup wizard to the OPS CLI. The wizard will guide users through the process of setting up simulation objects to use in a simulation, and will save the created objects ...

X Description: This will add an interactive setup wizard to the OPS CLI. The wizard will guide users through the process of setting up simulation objects to use in a simulation, and will save the created objects ...

Opengraph URL: https://github.com/openpathsampling/openpathsampling-cli/pull/41

X: @github

direct link

Domain: github.com

route-pattern/_view_fragments/voltron/pull_requests/show/:user_id/:repository/:id/pull_request_layout(.:format)
route-controllervoltron_pull_requests_fragments
route-actionpull_request_layout
fetch-noncev2:2ff5ea9e-374f-e895-b564-d9a7042cc1ad
current-catalog-service-hashae870bc5e265a340912cde392f23dad3671a0a881730ffdadd82f2f57d81641b
request-idD638:6FDD1:50F49F:6C4569:6969B24E
html-safe-noncebc50a983628e289e3c9718c5e9751fa3fcd98bd0adc292bd4f5d0b10d9d5d5f0
visitor-payloadeyJyZWZlcnJlciI6IiIsInJlcXVlc3RfaWQiOiJENjM4OjZGREQxOjUwRjQ5Rjo2QzQ1Njk6Njk2OUIyNEUiLCJ2aXNpdG9yX2lkIjoiMTYzMTMzNjkwNDE1OTUwNzAyMiIsInJlZ2lvbl9lZGdlIjoiaWFkIiwicmVnaW9uX3JlbmRlciI6ImlhZCJ9
visitor-hmac06db8809da7f965c11548cc67fcf0cd8c923036d9427a0ba2492fdf14ec3138c
hovercard-subject-tagpull_request:584952187
github-keyboard-shortcutsrepository,pull-request-list,pull-request-conversation,pull-request-files-changed,copilot
google-site-verificationApib7-x98H0j5cPqHWwSMm6dNU4GmODRoqxLiDzdx9I
octolytics-urlhttps://collector.github.com/github/collect
analytics-location///voltron/pull_requests_fragments/pull_request_layout
fb:app_id1401488693436528
apple-itunes-appapp-id=1477376905, app-argument=https://github.com/_view_fragments/voltron/pull_requests/show/openpathsampling/openpathsampling-cli/41/pull_request_layout
twitter:imagehttps://opengraph.githubassets.com/6a99771926560cf5f3dfeddd5669ec66d0941fc4b97b97c2c43769a9d0a5a777/openpathsampling/openpathsampling-cli/pull/41
twitter:cardsummary_large_image
og:imagehttps://opengraph.githubassets.com/6a99771926560cf5f3dfeddd5669ec66d0941fc4b97b97c2c43769a9d0a5a777/openpathsampling/openpathsampling-cli/pull/41
og:image:altThis will add an interactive setup wizard to the OPS CLI. The wizard will guide users through the process of setting up simulation objects to use in a simulation, and will save the created objects ...
og:image:width1200
og:image:height600
og:site_nameGitHub
og:typeobject
og:author:usernamedwhswenson
hostnamegithub.com
expected-hostnamegithub.com
Noneb23b8fcc855cd29bb04d6c94aafa62d336bf44eefa8229444eecc968cad03aee
turbo-cache-controlno-preview
go-importgithub.com/openpathsampling/openpathsampling-cli git https://github.com/openpathsampling/openpathsampling-cli.git
octolytics-dimension-user_id19826308
octolytics-dimension-user_loginopenpathsampling
octolytics-dimension-repository_id227357252
octolytics-dimension-repository_nwoopenpathsampling/openpathsampling-cli
octolytics-dimension-repository_publictrue
octolytics-dimension-repository_is_forkfalse
octolytics-dimension-repository_network_root_id227357252
octolytics-dimension-repository_network_root_nwoopenpathsampling/openpathsampling-cli
turbo-body-classeslogged-out env-production page-responsive
disable-turbofalse
browser-stats-urlhttps://api.github.com/_private/browser/stats
browser-errors-urlhttps://api.github.com/_private/browser/errors
release0672399d88424758731ec07fe24509e23bb17fb5
ui-targetfull
theme-color#1e2327
color-schemelight dark

Links:

Skip to contenthttps://github.com/openpathsampling/openpathsampling-cli/pull/41#start-of-content
https://github.com/
Sign in https://github.com/login?return_to=https%3A%2F%2Fgithub.com%2Fopenpathsampling%2Fopenpathsampling-cli%2Fpull%2F41
GitHub CopilotWrite better code with AIhttps://github.com/features/copilot
GitHub SparkBuild and deploy intelligent appshttps://github.com/features/spark
GitHub ModelsManage and compare promptshttps://github.com/features/models
MCP RegistryNewIntegrate external toolshttps://github.com/mcp
ActionsAutomate any workflowhttps://github.com/features/actions
CodespacesInstant dev environmentshttps://github.com/features/codespaces
IssuesPlan and track workhttps://github.com/features/issues
Code ReviewManage code changeshttps://github.com/features/code-review
GitHub Advanced SecurityFind and fix vulnerabilitieshttps://github.com/security/advanced-security
Code securitySecure your code as you buildhttps://github.com/security/advanced-security/code-security
Secret protectionStop leaks before they starthttps://github.com/security/advanced-security/secret-protection
Why GitHubhttps://github.com/why-github
Documentationhttps://docs.github.com
Bloghttps://github.blog
Changeloghttps://github.blog/changelog
Marketplacehttps://github.com/marketplace
View all featureshttps://github.com/features
Enterpriseshttps://github.com/enterprise
Small and medium teamshttps://github.com/team
Startupshttps://github.com/enterprise/startups
Nonprofitshttps://github.com/solutions/industry/nonprofits
App Modernizationhttps://github.com/solutions/use-case/app-modernization
DevSecOpshttps://github.com/solutions/use-case/devsecops
DevOpshttps://github.com/solutions/use-case/devops
CI/CDhttps://github.com/solutions/use-case/ci-cd
View all use caseshttps://github.com/solutions/use-case
Healthcarehttps://github.com/solutions/industry/healthcare
Financial serviceshttps://github.com/solutions/industry/financial-services
Manufacturinghttps://github.com/solutions/industry/manufacturing
Governmenthttps://github.com/solutions/industry/government
View all industrieshttps://github.com/solutions/industry
View all solutionshttps://github.com/solutions
AIhttps://github.com/resources/articles?topic=ai
Software Developmenthttps://github.com/resources/articles?topic=software-development
DevOpshttps://github.com/resources/articles?topic=devops
Securityhttps://github.com/resources/articles?topic=security
View all topicshttps://github.com/resources/articles
Customer storieshttps://github.com/customer-stories
Events & webinarshttps://github.com/resources/events
Ebooks & reportshttps://github.com/resources/whitepapers
Business insightshttps://github.com/solutions/executive-insights
GitHub Skillshttps://skills.github.com
Documentationhttps://docs.github.com
Customer supporthttps://support.github.com
Community forumhttps://github.com/orgs/community/discussions
Trust centerhttps://github.com/trust-center
Partnershttps://github.com/partners
GitHub SponsorsFund open source developershttps://github.com/sponsors
Security Labhttps://securitylab.github.com
Maintainer Communityhttps://maintainers.github.com
Acceleratorhttps://github.com/accelerator
Archive Programhttps://archiveprogram.github.com
Topicshttps://github.com/topics
Trendinghttps://github.com/trending
Collectionshttps://github.com/collections
Enterprise platformAI-powered developer platformhttps://github.com/enterprise
GitHub Advanced SecurityEnterprise-grade security featureshttps://github.com/security/advanced-security
Copilot for BusinessEnterprise-grade AI featureshttps://github.com/features/copilot/copilot-business
Premium SupportEnterprise-grade 24/7 supporthttps://github.com/premium-support
Pricinghttps://github.com/pricing
Search syntax tipshttps://docs.github.com/search-github/github-code-search/understanding-github-code-search-syntax
documentationhttps://docs.github.com/search-github/github-code-search/understanding-github-code-search-syntax
Sign in https://github.com/login?return_to=https%3A%2F%2Fgithub.com%2Fopenpathsampling%2Fopenpathsampling-cli%2Fpull%2F41
Sign up https://github.com/signup?ref_cta=Sign+up&ref_loc=header+logged+out&ref_page=%2F%3Cuser-name%3E%2F%3Crepo-name%3E%2Fvoltron%2Fpull_requests_fragments%2Fpull_request_layout&source=header-repo&source_repo=openpathsampling%2Fopenpathsampling-cli
Reloadhttps://github.com/openpathsampling/openpathsampling-cli/pull/41
Reloadhttps://github.com/openpathsampling/openpathsampling-cli/pull/41
Reloadhttps://github.com/openpathsampling/openpathsampling-cli/pull/41
openpathsampling https://github.com/openpathsampling
openpathsampling-clihttps://github.com/openpathsampling/openpathsampling-cli
Notifications https://github.com/login?return_to=%2Fopenpathsampling%2Fopenpathsampling-cli
Fork 3 https://github.com/login?return_to=%2Fopenpathsampling%2Fopenpathsampling-cli
Star 3 https://github.com/login?return_to=%2Fopenpathsampling%2Fopenpathsampling-cli
Code https://github.com/openpathsampling/openpathsampling-cli
Issues 2 https://github.com/openpathsampling/openpathsampling-cli/issues
Pull requests 1 https://github.com/openpathsampling/openpathsampling-cli/pulls
Actions https://github.com/openpathsampling/openpathsampling-cli/actions
Projects 0 https://github.com/openpathsampling/openpathsampling-cli/projects
Security Uh oh! There was an error while loading. Please reload this page. https://github.com/openpathsampling/openpathsampling-cli/security
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
Insights https://github.com/openpathsampling/openpathsampling-cli/pulse
Code https://github.com/openpathsampling/openpathsampling-cli
Issues https://github.com/openpathsampling/openpathsampling-cli/issues
Pull requests https://github.com/openpathsampling/openpathsampling-cli/pulls
Actions https://github.com/openpathsampling/openpathsampling-cli/actions
Projects https://github.com/openpathsampling/openpathsampling-cli/projects
Security https://github.com/openpathsampling/openpathsampling-cli/security
Insights https://github.com/openpathsampling/openpathsampling-cli/pulse
Sign up for GitHub https://github.com/signup?return_to=%2Fopenpathsampling%2Fopenpathsampling-cli%2Fissues%2Fnew%2Fchoose
terms of servicehttps://docs.github.com/terms
privacy statementhttps://docs.github.com/privacy
Sign inhttps://github.com/login?return_to=%2Fopenpathsampling%2Fopenpathsampling-cli%2Fissues%2Fnew%2Fchoose
Jump to bottomhttps://github.com/openpathsampling/openpathsampling-cli/pull/41#issue-comment-box
dwhswensonhttps://github.com/dwhswenson
openpathsampling:mainhttps://github.com/openpathsampling/openpathsampling-cli/tree/main
dwhswenson:wizardhttps://github.com/dwhswenson/openpathsampling-cli/tree/wizard
Simulation Setup Wizard https://github.com/openpathsampling/openpathsampling-cli/pull/41#top
dwhswensonhttps://github.com/dwhswenson
openpathsampling:mainhttps://github.com/openpathsampling/openpathsampling-cli/tree/main
dwhswenson:wizardhttps://github.com/dwhswenson/openpathsampling-cli/tree/wizard
Conversation 42 https://github.com/openpathsampling/openpathsampling-cli/pull/41
Commits 49 https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits
Checks 0 https://github.com/openpathsampling/openpathsampling-cli/pull/41/checks
Files changed https://github.com/openpathsampling/openpathsampling-cli/pull/41/files
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.co/hiddenchars
https://github.com/openpathsampling/openpathsampling-cli/pull/{{ revealButtonHref }}
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Mar 4, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#issue-822305440
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
dwhswensonhttps://github.com/dwhswenson
February 18, 2021 09:27https://github.com/openpathsampling/openpathsampling-cli/pull/41#commits-pushed-7af7eae
https://github.com/dwhswenson
Add start to wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/7af7eae0c92986ef1f90fe31f94cc72690a20e1e
7af7eaehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/7af7eae0c92986ef1f90fe31f94cc72690a20e1e
https://github.com/dwhswenson
TPS wizard works through state defshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/7fec89197f8284d9dfcd66b4f001cbbd7c52e80e
7fec891https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/7fec89197f8284d9dfcd66b4f001cbbd7c52e80e
https://github.com/dwhswenson
a little more work on the wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/250f4e27563b5916d59d1ac605629ad5be29a644
250f4e2https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/250f4e27563b5916d59d1ac605629ad5be29a644
https://github.com/dwhswenson
major steps toward TPS wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/666f9a997edbedabf302fde34e59eebe3f41168b
666f9a9https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/666f9a997edbedabf302fde34e59eebe3f41168b
https://github.com/dwhswenson
A little more cleanup on wizard stuffhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/8910ba22e68e35a4ab6f0dbeb6a4810d0543b9d8
8910ba2https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/8910ba22e68e35a4ab6f0dbeb6a4810d0543b9d8
https://github.com/dwhswenson
Start to add tests for wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/0b60338d67114507c54f0dd0596f7dcd507d059b
0b60338https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/0b60338d67114507c54f0dd0596f7dcd507d059b
https://github.com/dwhswenson
tests for most of the Wizard objecthttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/68066b1477356874b4c2b398dfe6751c66c8ec2b
68066b1https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/68066b1477356874b4c2b398dfe6751c66c8ec2b
https://github.com/dwhswenson
move MockConsole, start to get_object decoratorhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/4da1b9a2f34bd5dffb96ca2cec94019f8bcbc520
4da1b9ahttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/4da1b9a2f34bd5dffb96ca2cec94019f8bcbc520
https://github.com/dwhswenson
more work toward using get_objecthttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/c17f3d1d44c23a77011cb55a1a855213326e8c7b
c17f3d1https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/c17f3d1d44c23a77011cb55a1a855213326e8c7b
https://github.com/dwhswenson
tests for OpenMM wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/77fa5cec7c3952a292796c365663674dfea521a2
77fa5cehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/77fa5cec7c3952a292796c365663674dfea521a2
https://github.com/dwhswenson
Prep tests for CVshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/76ea517b5e113832d34d1fa51718786a39e81394
76ea517https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/76ea517b5e113832d34d1fa51718786a39e81394
https://github.com/dwhswenson
Some CV cleanup; more periodicity to CVshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/5d2e3f86e818220e2b581a38a4e8bb2409f3d533
5d2e3f8https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/5d2e3f86e818220e2b581a38a4e8bb2409f3d533
https://github.com/dwhswenson
Wizard ready for 2-state TPS demohttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b5ec9ce5742ee8682e4b2ce0707e7888b9d2ccbe
b5ec9cehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b5ec9ce5742ee8682e4b2ce0707e7888b9d2ccbe
https://github.com/dwhswenson
Add tests for CV wizardshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b32d03a1767a792d390d0db44f5b42d2644ec21e
b32d03ahttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b32d03a1767a792d390d0db44f5b42d2644ec21e
https://github.com/dwhswenson
tests for volume wizardshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a52bac0b3aaf9773638f26f2359c28a7e7efe554
a52bac0https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a52bac0b3aaf9773638f26f2359c28a7e7efe554
https://github.com/dwhswenson
simplify code to reflect current usagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a9c4d960ff325c1d3878b94a7ddcb68b143a5b56
a9c4d96https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a9c4d960ff325c1d3878b94a7ddcb68b143a5b56
https://github.com/dwhswenson
more cleanup of unusedhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a85118fd5544a79d93d3b2176815a4db798c5494
a85118fhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/a85118fd5544a79d93d3b2176815a4db798c5494
https://github.com/dwhswenson
More tests; work toward handling Spring Shootinghttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/42aa3c9c9e47e1bb4f65d541daeddb7f4028eb85
42aa3c9https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/42aa3c9c9e47e1bb4f65d541daeddb7f4028eb85
https://github.com/dwhswenson
fix up testshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/13f7108f688d1dcb7d1d8df399e92f0ad8730f93
13f7108https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/13f7108f688d1dcb7d1d8df399e92f0ad8730f93
https://github.com/dwhswenson
Add tests for shooting, load_from_opshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/9d6c3dda089d6b5c5caf515fb08d12f6ca425236
9d6c3ddhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/9d6c3dda089d6b5c5caf515fb08d12f6ca425236
https://github.com/dwhswenson
Remove name from core (used as wizard.name)https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/6467b59721d07d2b5ae6e4346fe41e5dbd5c75a1
6467b59https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/6467b59721d07d2b5ae6e4346fe41e5dbd5c75a1
https://github.com/dwhswenson
Add tests for TPS wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d2050e4ab4cf946254b3dda3fe5efca86110c2ab
d2050e4https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d2050e4ab4cf946254b3dda3fe5efca86110c2ab
https://github.com/dwhswenson
Tests for two_state_tps.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/94cd34e80c6b7cf7b53dc0016b0017d7fefbccb0
94cd34ehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/94cd34e80c6b7cf7b53dc0016b0017d7fefbccb0
https://github.com/dwhswenson
tests for engines and errorshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3f183de908cfcf8afb78ac456832d7e1b9e45c9b
3f183dehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3f183de908cfcf8afb78ac456832d7e1b9e45c9b
https://github.com/dwhswenson
Update for parsing.tools.custom_evalhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/35c9ca18ce330b6871e8d3b01d7c8e77266bdf1b
35c9ca1https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/35c9ca18ce330b6871e8d3b01d7c8e77266bdf1b
https://github.com/dwhswenson
split off _do_one in wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/97189a6ac0eacd607da36bdc6d4ba89853552ee5
97189a6https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/97189a6ac0eacd607da36bdc6d4ba89853552ee5
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
enhancement https://github.com/openpathsampling/openpathsampling-cli/issues?q=state%3Aopen%20label%3Aenhancement
Apr 9, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-4575249519
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Apr 18, 2021 https://github.com/openpathsampling/openpathsampling-cli/pull/41#ref-pullrequest-860712769
compile command: Simulation setup with YAML or JSON #43 https://github.com/openpathsampling/openpathsampling-cli/pull/43
https://github.com/dwhswenson
Add remaining tests for wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/f932fce870236522fdb0cb5920f0fe0681f57d2e
f932fcehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/f932fce870236522fdb0cb5920f0fe0681f57d2e
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jun 18, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-4911433510
https://github.com/dwhswenson
don't actually monkeypatch when testing Wizardhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/6c37dce94df2305c74bd6c05a26b3b2d745cf4e1
6c37dcehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/6c37dce94df2305c74bd6c05a26b3b2d745cf4e1
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jun 18, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#issuecomment-864293906
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.com/dwhswenson
fix deprecation warnings for OPS 1.5https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d444895b81fb7a67196fe7e9e4db8cb36860c77c
d444895https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d444895b81fb7a67196fe7e9e4db8cb36860c77c
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 6, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#issuecomment-875078746
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 6, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-4985495911
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 6, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-4985496181
dwhswensonhttps://github.com/dwhswenson
July 7, 2021 03:37https://github.com/openpathsampling/openpathsampling-cli/pull/41#commits-pushed-47106e6
https://github.com/dwhswenson
Add Wizard (skeleton form) to docshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/47106e6ef599bec29eaec25957c6d06ac0134d98
47106e6https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/47106e6ef599bec29eaec25957c6d06ac0134d98
https://github.com/dwhswenson
Add test job with openmm etc integrationshttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/e9dd8158f4d93d7152fb0ae6925a34acbcfe2ced
e9dd815https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/e9dd8158f4d93d7152fb0ae6925a34acbcfe2ced
https://github.com/dwhswenson
fix whitespace in yamlhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/ea29ac49c902cdb764d6ef5ab64ce68f53f9539a
ea29ac4https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/ea29ac49c902cdb764d6ef5ab64ce68f53f9539a
https://github.com/dwhswenson
fix include in yamlhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b52c1efaa9a8e4b255b6120d958152601d6866f6
b52c1efhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/b52c1efaa9a8e4b255b6120d958152601d6866f6
https://github.com/dwhswenson
fix typo in workflowhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3b64ce7112d6cf871731a5a1cbad8fd76684f9c5
3b64ce7https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3b64ce7112d6cf871731a5a1cbad8fd76684f9c5
https://github.com/dwhswenson
fix workflowhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/8dcd07d3484da34c30ad01bbb520ea65be46663e
8dcd07dhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/8dcd07d3484da34c30ad01bbb520ea65be46663e
https://github.com/dwhswenson
increase fetch-depth to help codecovhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/e774caace4e91d9724e0b95cc6eeb6e4976525c7
e774caahttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/e774caace4e91d9724e0b95cc6eeb6e4976525c7
https://github.com/dwhswenson
... helps is fetch-depth is in the right headinghttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d07699ea9590312646e003ae4d7cfac9a800dcef
d07699ehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/d07699ea9590312646e003ae4d7cfac9a800dcef
https://github.com/dwhswenson
finish test coveragehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/2ba6390a446c80835d027e6bac4bc8b8129e308a
2ba6390https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/2ba6390a446c80835d027e6bac4bc8b8129e308a
https://github.com/dwhswenson
Add test for bad MDTraj atom index inputhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/59b6fbed0153e395b74f44a8d708319e18c95aae
59b6fbehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/59b6fbed0153e395b74f44a8d708319e18c95aae
https://github.com/dwhswenson
Add tests/wizard/__init__.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/4f3e53aa2032efd5f4b8138776f1d032123b89e5
4f3e53ahttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/4f3e53aa2032efd5f4b8138776f1d032123b89e5
https://github.com/dwhswenson
no-cov on jokehttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/0b33b7938520138549892d6ab7989694c23ccb7e
0b33b79https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/0b33b7938520138549892d6ab7989694c23ccb7e
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 24, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#issuecomment-886060414
#43https://github.com/openpathsampling/openpathsampling-cli/pull/43
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 24, 2021 https://github.com/openpathsampling/openpathsampling-cli/pull/41#ref-pullrequest-952165274
New plugin infrastructure #48 https://github.com/openpathsampling/openpathsampling-cli/pull/48
https://github.com/sroet
sroethttps://github.com/sroet
Jul 26, 2021 https://github.com/openpathsampling/openpathsampling-cli/pull/41#pullrequestreview-714569481
View reviewed changes https://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e
sroethttps://github.com/sroet
https://github.com/openpathsampling/openpathsampling-cli/pull/41#pullrequestreview-714569481
Learn morehttps://docs.github.com/articles/managing-disruptive-comments/#hiding-a-comment
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/parsing/tools.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-2b081206a5e136f957ca175fb34f4daca56f57de3acac7ba9e39c0948314dec2
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/tests/parsing/test_tools.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-3117440267936b461aa8d1083297e85db3dddc3098e4232c476eb6116ab832e7
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/tests/wizard/conftest.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-cab53a0606e58314231e99c353ba8d4b273d4aacfc7a34c7c18306e410a4acd5
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/tests/wizard/test_core.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-a5b7d26d9cf70571e741435db575d6749382a309c6992aa4f567faa88dd7fae5
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/tests/wizard/test_core.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-a5b7d26d9cf70571e741435db575d6749382a309c6992aa4f567faa88dd7fae5
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/wizard/tps.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-93929e40abe128c9008239dd077c6ed00eadd660c2035e26e7e96817e82f96fa
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/wizard/volumes.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-b411354dfb4282f20eca9fe4600c9510293e47de73c560edb3533fd85b787062
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/wizard/volumes.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-b411354dfb4282f20eca9fe4600c9510293e47de73c560edb3533fd85b787062
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/wizard/volumes.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-b411354dfb4282f20eca9fe4600c9510293e47de73c560edb3533fd85b787062
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
paths_cli/wizard/volumes.pyhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/files/0b33b7938520138549892d6ab7989694c23ccb7e#diff-b411354dfb4282f20eca9fe4600c9510293e47de73c560edb3533fd85b787062
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
dwhswensonhttps://github.com/dwhswenson
July 26, 2021 13:25https://github.com/openpathsampling/openpathsampling-cli/pull/41#commits-pushed-60eb119
https://github.com/dwhswenson
https://github.com/sroet
Apply suggestions from code reviewhttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/60eb119540e39642daa0313cc09b5ca507d8767b
60eb119https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/60eb119540e39642daa0313cc09b5ca507d8767b
https://github.com/dwhswenson
misc review cleanuphttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3d92cd248060aac02acc0e9686408ef914e2d62b
3d92cd2https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/3d92cd248060aac02acc0e9686408ef914e2d62b
https://github.com/dwhswenson
Merge branch 'main' of github.com:openpathsampling/openpathsampling-c…https://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/07b7d7cb2e25fa81c4ff68adb1ae779b17d47842
07b7d7chttps://github.com/openpathsampling/openpathsampling-cli/pull/41/commits/07b7d7cb2e25fa81c4ff68adb1ae779b17d47842
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jul 27, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#issuecomment-887699479
@sroethttps://github.com/sroet
#43https://github.com/openpathsampling/openpathsampling-cli/pull/43
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
012e2f5https://github.com/openpathsampling/openpathsampling-cli/commit/012e2f5cbf87f32528e55e656db54a39d324b7c4
Jul 27, 2021https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-5075727248
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
July 27, 2021 17:33https://github.com/openpathsampling/openpathsampling-cli/pull/41#event-5075727468
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Sep 2, 2021 https://github.com/openpathsampling/openpathsampling-cli/pull/41#ref-pullrequest-985878935
Updates for OpenMM 7.6 #50 https://github.com/openpathsampling/openpathsampling-cli/pull/50
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Oct 7, 2021 https://github.com/openpathsampling/openpathsampling-cli/pull/41#ref-pullrequest-1019523706
Wizard rewrite #54 https://github.com/openpathsampling/openpathsampling-cli/pull/54
https://github.com/dwhswenson
dwhswensonhttps://github.com/dwhswenson
Jun 11, 2024 https://github.com/openpathsampling/openpathsampling-cli/pull/41#ref-pullrequest-2345239648
Release 0.3 #79 https://github.com/openpathsampling/openpathsampling-cli/pull/79
Sign up for freehttps://github.com/join?source=comment-repo
Sign in to commenthttps://github.com/login?return_to=https%3A%2F%2Fgithub.com%2Fopenpathsampling%2Fopenpathsampling-cli%2Fpull%2F41
https://github.com/sroet
sroet https://github.com/sroet
https://github.com/openpathsampling/openpathsampling-cli/pull/41/files/3d92cd248060aac02acc0e9686408ef914e2d62b
enhancement https://github.com/openpathsampling/openpathsampling-cli/issues?q=state%3Aopen%20label%3Aenhancement
Please reload this pagehttps://github.com/openpathsampling/openpathsampling-cli/pull/41
https://github.com/dwhswenson
https://github.com/sroet
https://github.com
Termshttps://docs.github.com/site-policy/github-terms/github-terms-of-service
Privacyhttps://docs.github.com/site-policy/privacy-policies/github-privacy-statement
Securityhttps://github.com/security
Statushttps://www.githubstatus.com/
Communityhttps://github.community/
Docshttps://docs.github.com/
Contacthttps://support.github.com?tags=dotcom-footer

Viewport: width=device-width

URLs of crawlers that visited me.