Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / pyiron/pyiron_atomistics issues and pull requests
#1556 - Sphinx log parser fix
Pull Request -
State: open - Opened by skatnagallu 5 months ago
- 1 comment
#1555 - Merge main
Pull Request -
State: closed - Opened by jan-janssen 5 months ago
#1554 - Update pyiron_base to 0.10.1
Pull Request -
State: closed - Opened by jan-janssen 5 months ago
- 1 comment
#1553 - LAMMPS job crash immediately "couldn't read file /mpcdf/soft/SLE_15/packages/x86_64/Modules/5.0.1/libexec/modulecmd.tcl"
Issue -
State: open - Opened by lfzhu-phys 5 months ago
- 3 comments
#1552 - Sphinx job parsing issues
Issue -
State: open - Opened by skatnagallu 5 months ago
Labels: bug
#1551 - Bump numpy from 1.26.4 to 2.1.1
Pull Request -
State: open - Opened by dependabot[bot] 5 months ago
- 1 comment
Labels: dependencies, major
#1550 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 5 months ago
#1549 - clears output for restarted jobs
Pull Request -
State: closed - Opened by skatnagallu 5 months ago
- 3 comments
#1548 - Bump pylammpsmpi from 0.2.24 to 0.2.25
Pull Request -
State: closed - Opened by dependabot[bot] 5 months ago
- 1 comment
Labels: dependencies, patch
#1547 - Remove conda default channel
Pull Request -
State: closed - Opened by jan-janssen 5 months ago
- 1 comment
#1546 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 5 months ago
- 1 comment
#1545 - No longer use defaults
Pull Request -
State: closed - Opened by jan-janssen 5 months ago
- 1 comment
#1544 - CI conda setup allows defaults
Issue -
State: open - Opened by liamhuber 5 months ago
Labels: bug
#1543 - Pass axis in QHA job plotting
Pull Request -
State: closed - Opened by pmrv 5 months ago
- 1 comment
#1542 - Emit error when trying to set negative number of empty bands in DFT
Pull Request -
State: closed - Opened by pmrv 5 months ago
- 4 comments
Labels: integration
#1541 - VASP: Add collect_output() function again
Pull Request -
State: closed - Opened by jan-janssen 5 months ago
- 2 comments
#1540 - Bump pylammpsmpi from 0.2.23 to 0.2.24
Pull Request -
State: closed - Opened by dependabot[bot] 5 months ago
- 1 comment
Labels: dependencies, patch
#1539 - Remove to_hdf() and from_hdf() from calphy job
Pull Request -
State: open - Opened by jan-janssen 6 months ago
- 1 comment
#1538 - Remove to_hdf() and from_hdf() from LAMMPS input class
Pull Request -
State: open - Opened by jan-janssen 6 months ago
- 1 comment
#1537 - Nicer error message when no potential tables configured
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 2 comments
Labels: integration, format_black
#1536 - Rename dictionary objects to obj_dict
Pull Request -
State: closed - Opened by pmrv 6 months ago
#1535 - Bump phonopy from 2.26.6 to 2.27.0
Pull Request -
State: open - Opened by dependabot[bot] 6 months ago
- 1 comment
Labels: dependencies, minor
#1534 - Bump structuretoolkit from 0.0.27 to 0.0.28
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1533 - Bump scipy from 1.14.0 to 1.14.1
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1532 - Bump mp-api from 0.41.2 to 0.42.1
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 1 comment
Labels: dependencies, minor
#1531 - Bump pyiron-base from 0.9.12 to 0.10.0
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 22 comments
Labels: dependencies, minor
#1530 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 6 months ago
- 1 comment
Labels: integration
#1529 - Bump numpy from 1.26.4 to 2.1.0
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 6 comments
Labels: help wanted, dependencies, major
#1528 - Refactor resource loading in lammps/vasp/sphinx
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 2 comments
#1527 - Use ResourceResolvers in lammps/vasp/sphinx
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 4 comments
Labels: enhancement, integration, format_black, patch
#1526 - Bump matplotlib from 3.9.1 to 3.9.2
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1525 - Bump pyiron-base from 0.9.11 to 0.9.12
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1524 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 6 months ago
- 1 comment
#1523 - Bump phonopy from 2.26.6 to 2.26.7
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1522 - Bump pyiron-snippets from 0.1.3 to 0.1.4
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 1 comment
Labels: dependencies, patch
#1521 - Bump pyscal3 from 3.2.6 to 3.2.7
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 1 comment
Labels: dependencies, patch
#1520 - Bump matplotlib from 3.9.1 to 3.9.1.post1
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 2 comments
Labels: dependencies, patch
#1519 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 6 months ago
- 1 comment
#1518 - import job to pyiron
Issue -
State: closed - Opened by jyang2009 6 months ago
- 2 comments
Labels: question
#1517 - Update pyiron_base to 0.9.11
Pull Request -
State: closed - Opened by jan-janssen 6 months ago
- 1 comment
#1516 - Fix NBLOCK parsing in Vasp>=6
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 1 comment
#1515 - VASP parser Outcar.get_steps broken with VASP 6.4.3
Issue -
State: closed - Opened by dhoulek 6 months ago
- 3 comments
Labels: bug
#1514 - Always set retain_charge_density/electrostatic_potential
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 1 comment
Labels: bug
#1513 - LCHARG is wrongly handled with `retain_charge_density`
Issue -
State: closed - Opened by dhoulek 6 months ago
- 2 comments
Labels: bug
#1512 - Bump pylammpsmpi from 0.2.22 to 0.2.23
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
- 3 comments
Labels: dependencies, patch
#1511 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 6 months ago
- 1 comment
#1510 - Update pylammpsmpi 0.2.23
Pull Request -
State: closed - Opened by jan-janssen 6 months ago
- 1 comment
#1509 - Use .content rather than .project_hdf5
Pull Request -
State: closed - Opened by pmrv 6 months ago
- 6 comments
Labels: bug, integration, format_black
#1508 - Cell (along with other properties) cannot be accessed from `project_hdf5` in Sphinx
Issue -
State: open - Opened by samwaseda 7 months ago
- 2 comments
Labels: bug, major
#1507 - Update LAMMPS to 2024.06.27
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1506 - [patch] Replace conda-incubator with pyrion/actions
Pull Request -
State: closed - Opened by liamhuber 7 months ago
- 6 comments
#1505 - Update pylammpsmpi to 0.2.22
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1504 - Enable Python 3.9 tests again - for lower bound
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 2 comments
#1503 - [pre-commit.ci] pre-commit autoupdate
Pull Request -
State: closed - Opened by pre-commit-ci[bot] 7 months ago
- 1 comment
#1502 - Bump pyiron-base from 0.9.9 to 0.9.10
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 3 comments
Labels: dependencies, patch
#1501 - Bump numpy from 1.26.4 to 2.0.1
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, major
#1500 - Sphinx: Fix check_setup() for band structure calculation
Pull Request -
State: closed - Opened by skatnagallu 7 months ago
- 1 comment
Labels: integration, patch
#1499 - Check_setup needs to be fixed for restarted band structure calculations in sphinz
Issue -
State: closed - Opened by skatnagallu 7 months ago
#1498 - Update pyiron_base to 0.9.9
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1497 - Fixes for LAMMPS interactive
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1496 - ruff fixes
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
Labels: format_black
#1495 - Bump phonopy from 2.26.5 to 2.26.6
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, patch
#1494 - Update pylammpsmpi to 0.2.21
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1493 - Bump pyiron-snippets from 0.1.2 to 0.1.3
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 6 comments
Labels: dependencies, patch
#1492 - Bump phonopy from 2.26.3 to 2.26.5
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, patch
#1491 - Bump pint from 0.24.1 to 0.24.3
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, patch
#1490 - Bump spglib from 2.4.0 to 2.5.0
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 1 comment
Labels: dependencies, minor
#1489 - Bump pyscal3 from 3.2.5 to 3.2.6
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 1 comment
Labels: dependencies, patch
#1488 - Bump structuretoolkit from 0.0.26 to 0.0.27
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 3 comments
Labels: dependencies, patch
#1487 - Update structuretoolkit to 0.0.27
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1486 - Clean up the SxExtOpt because it's gonna be part of a publication
Pull Request -
State: closed - Opened by samwaseda 7 months ago
- 1 comment
Labels: patch
#1485 - Bump phonopy from 2.26.2 to 2.26.3
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 1 comment
Labels: dependencies, patch
#1484 - Remove unused argument
Pull Request -
State: closed - Opened by pmrv 7 months ago
- 2 comments
#1483 - Bump phonopy from 2.25.0 to 2.26.2
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 3 comments
Labels: dependencies, minor
#1482 - Update pyiron_base to 0.9.6
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 1 comment
#1481 - AbstractPotential: remove dead parameter
Pull Request -
State: closed - Opened by pmrv 7 months ago
- 1 comment
#1480 - Bump matplotlib from 3.9.0 to 3.9.1
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, patch
#1479 - Bump scikit-learn from 1.5.0 to 1.5.1
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, patch
#1477 - ImportError: cannot import name 'deprecate' from 'pyiron_base' (/cmmc/ptmp/pyironhb/mambaforge/envs/pyiron_mpie_cmti_2024-07-01/lib/python3.11/site-packages/pyiron_base/__init__.py)
Issue -
State: closed - Opened by lfzhu-phys 7 months ago
- 27 comments
#1475 - Bump phonopy from 2.24.3 to 2.25.0
Pull Request -
State: closed - Opened by dependabot[bot] 7 months ago
- 2 comments
Labels: dependencies, minor
#1474 - Delay NGLview import
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 2 comments
Labels: format_black
#1473 - Add vasp_function() - use VASP job in a functional approach
Pull Request -
State: open - Opened by jan-janssen 7 months ago
- 1 comment
#1472 - Add lammps_function() - use LAMMPS job in a functional approach
Pull Request -
State: closed - Opened by jan-janssen 7 months ago
- 10 comments
Labels: format_black
#1471 - Files are not written for remote jobs
Issue -
State: closed - Opened by Leimeroth 7 months ago
- 20 comments
Labels: bug
#1470 - Update dependabot.yml
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1469 - Solvation energy 3
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1468 - parse ediel_sol from OUTCAR
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1467 - Update pint to 0.24.1
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 2 comments
#1466 - Update scipy to 1.14.0
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1465 - parse ediel_sol from OUTCAR
Pull Request -
State: closed - Opened by jyang2009 8 months ago
- 3 comments
Labels: format_black
#1464 - Bump phonopy from 2.24.2 to 2.24.3
Pull Request -
State: closed - Opened by dependabot[bot] 8 months ago
- 2 comments
Labels: dependencies, patch
#1463 - Parse VASP-ML output
Pull Request -
State: open - Opened by jan-janssen 8 months ago
Labels: format_black
#1462 - Update pyiron_base to 0.9.4
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1461 - Merge main
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
#1460 - Update pyiron_base, pyiron_snippets, pint and structuretoolkit
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
- 1 comment
#1459 - Change index error in electronic structure to warning
Pull Request -
State: closed - Opened by samwaseda 8 months ago
- 1 comment
Labels: minor
#1458 - Bump numpy from 1.26.4 to 2.0.0
Pull Request -
State: closed - Opened by dependabot[bot] 8 months ago
- 8 comments
Labels: dependencies
#1457 - remove calc_static from DFT
Pull Request -
State: closed - Opened by samwaseda 8 months ago
- 2 comments
Labels: bug, integration, format_black, code_smell
#1456 - Merge main
Pull Request -
State: closed - Opened by jan-janssen 8 months ago
#1455 - Merge main
Pull Request -
State: closed - Opened by jan-janssen 8 months ago