-
Notifications
You must be signed in to change notification settings - Fork 873
Pull requests: materialsproject/pymatgen
Author
Label
Projects
Milestones
Reviews
Assignee
Sort
Pull requests list
Remove
is_rare_earth_metal from ElementBase (periodic_table.py)
#4242
opened Jan 2, 2025 by
jdewasseigeosium
Loading…
3 of 4 tasks
Fix ion formula check in
ion_or_solid_comp_object of analysis.pourbaix_diagram
#4233
opened Dec 23, 2024 by
DanielYang59
Loading…
2 tasks done
AseAtomsAdaptor: Support arbitrary selective dynamics constraints
#4229
opened Dec 17, 2024 by
yantar92
Loading…
3 of 4 tasks
Fix file existence check in ChargemolAnalysis to verify directory instead.
#4226
opened Dec 16, 2024 by
lllangWV
Loading…
Reapply
zopen explicit UTF-8 encoding, enable optional EncodingWarning PEP 597 in tests
#4222
opened Dec 11, 2024 by
DanielYang59
Loading…
1 of 2 tasks
Explicit UTF-8 encoding for VASP input files with
zopen, and open for other text files
#4218
opened Dec 6, 2024 by
DanielYang59
Loading…
1 task done
Deprecate
PymatgenTest, migrate pymatgen tests to pytest from unittest
#4212
opened Dec 1, 2024 by
DanielYang59
Loading…
2 tasks done
Fix array comparison in
core.Structure.merge_sites, also allow int property to be merged instead of float alone, mode only allow full name
#4198
opened Nov 25, 2024 by
DanielYang59
Loading…
2 tasks done
Change
get default from empty list ([]) to False when used as bool or condition check for Outcar parsing methods
#4196
opened Nov 25, 2024 by
DanielYang59
Loading…
Remove unnecesary isotope conversion in
core.periodic_table.get_el_sp
#4193
opened Nov 23, 2024 by
DanielYang59
Loading…
Clean up
util.num.make_symmetric_matrix_from_upper_tri and util.io_util.micro_pyawk, fix new ruff errors
#4192
opened Nov 23, 2024 by
DanielYang59
Loading…
[Breaking/Fix] Skip isotopes when iterating through
core.Element
#4180
opened Nov 17, 2024 by
DanielYang59
Loading…
Fix: BSPlotterProjected._Orbitals_SumOrbitals() method
#4167
opened Nov 12, 2024 by
ShengLin1001
Loading…
Avoid using full equality (
==) to compare float, avoid assert_array_equal compare float array
#4159
opened Nov 9, 2024 by
DanielYang59
Loading…
Add a coerce formal charges method to openff code
#4142
opened Oct 27, 2024 by
orionarcher
Loading…
4 tasks done
Fix
monty imports, enhance test for Outcar parser to cover uncompressed format
#4068
opened Sep 15, 2024 by
DanielYang59
•
Draft
1 of 2 tasks
Fix branch directory check in Electronic structure functionality related
fix
Bug fix PRs
io.vasp.outputs.get_band_structure_from_vasp_multiple_branches
electronic structure
#4061
opened Sep 11, 2024 by
DanielYang59
Loading…
1 task
Remove explicit declare of package-data
#4018
opened Aug 26, 2024 by
DanielYang59
Loading…
2 tasks done
Previous Next
ProTip!
Find all pull requests that aren't related to any open issues with -linked:issue.