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36 Open 383 Closed
36 Open 383 Closed
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Issues list

Allow customizable post-processing parameters and improve results accessibility for phonopy flows
#2510 opened Oct 23, 2024 by tomdemeyere
Failed in redecorating ESPRESSO_PARALLEL_CMD with jobflow
#2501 opened Oct 17, 2024 by yw-fang
2
Remove hacked Prefect functions to upstream Prefect
#2473 opened Sep 19, 2024 by Andrew-S-Rosen
Long import times enhancement New feature or request good-first-issue help wanted
#2437 opened Aug 20, 2024 by Andrew-S-Rosen
Add support for more foundation models enhancement New feature or request good-first-issue
#2429 opened Aug 17, 2024 by Andrew-S-Rosen
Meta-issue on Parsl functionalities with QuAcc
#2419 opened Aug 13, 2024 by tomdemeyere
3 tasks
3
[Proposal] store a unique hash to identify calculations enhancement New feature or request
#2409 opened Aug 10, 2024 by tomdemeyere
1
[Proposal]: Better handling of MD-type jobs where a termination may not be a failure enhancement New feature or request
#2408 opened Aug 10, 2024 by tomdemeyere
1
Add support for HarmonicThermo thermo treatment in TBLite's frequency calculation enhancement New feature or request
#2371 opened Jul 29, 2024 by Andrew-S-Rosen
Quasi_irc_job which nests jobs should be removed in favor of perturbation-based quasi irc NewtonNet Q-Chem
#2324 opened Jul 2, 2024 by samblau
1
Add a documentation section for advanced job patterns documentation Improvements or additions to documentation
#2300 opened Jun 24, 2024 by Andrew-S-Rosen
Add setup/usage instructions for jobflow-remote documentation Improvements or additions to documentation
#2259 opened Jun 15, 2024 by Andrew-S-Rosen
NewtonNet model settings do not always get correctly passed to _add_stdev_and_hess or _get_hessian bug Something isn't working
#2209 opened Jun 5, 2024 by Andrew-S-Rosen
1
Ensure PARSL_MPI_PREFIX is resolved for all MPI calculators enhancement New feature or request help wanted
#2203 opened Jun 3, 2024 by Andrew-S-Rosen
Fix slowdown of Covalent in test suite github_actions Pull requests that update GitHub Actions code good-first-issue help wanted
#2193 opened May 31, 2024 by Andrew-S-Rosen
The function signature when supplying parsl_resource_specification is hacky housekeeping Things to tidy up that are otherwise kind of boring
#2168 opened May 22, 2024 by Andrew-S-Rosen
Parsl: Switch to MPIExecutor in the tutorials for MPI tasks documentation Improvements or additions to documentation help wanted high-priority
#2116 opened May 11, 2024 by Andrew-S-Rosen
1
Add GULP 6.2 to Jenkins suite github_actions Pull requests that update GitHub Actions code tests
#2114 opened May 10, 2024 by Andrew-S-Rosen
Add support for the new MP 2024 workflows to VASP enhancement New feature or request
#2019 opened Apr 20, 2024 by Andrew-S-Rosen
1
@Andrew-S-Rosen
Re-enable the tests for VASP recipes on Windows in GitHub Actions CI github_actions Pull requests that update GitHub Actions code help wanted tests
#1920 opened Mar 20, 2024 by Andrew-S-Rosen
1
The VASP recipes are the only ones with relax_cell = True as default VASP
#1887 opened Mar 17, 2024 by Andrew-S-Rosen
Bug risk: Using customize_funcs() with Dask to update the parameters of a @flow or @subflow bug Something isn't working
#1865 opened Mar 9, 2024 by Andrew-S-Rosen
1
Have workflow engine test suites run all flows tests
#1743 opened Feb 22, 2024 by Andrew-S-Rosen
Proposal: add xml reader for espresso enhancement New feature or request Espresso
#1614 opened Jan 24, 2024 by tomdemeyere
4
Add ONETEP to Jenkins test suite github_actions Pull requests that update GitHub Actions code tests
#1560 opened Jan 16, 2024 by Andrew-S-Rosen
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