Commits

Branch selector

 master

User selector

All users

Datepicker

All time

Commit History

Commits on Jan 17, 2025

• Merge remote-tracking branch 'trunk/master'

  gmatteo

  committed
  d224fdc

  Copy full SHA for d224fdc

Commits on Jan 15, 2025

• Add links to tutorial and Youtube videos created by @computron.

  shyuep

  committed
  898d321

  Copy full SHA for 898d321

• ASE <---> pymatgen trajectory conversion (materialsproject#4253)

  Show description for e1993b2
  esoteric-ephemera

  authored
  e1993b2

  Copy full SHA for e1993b2

Commits on Jan 9, 2025

• Update docs

  shyuep

  committed
  0d14d72

  Copy full SHA for 0d14d72

• Update change log.

  shyuep

  committed
  a8c2b01

  Copy full SHA for a8c2b01

• [Breaking/Fix] Skip isotopes when iterating through core.Element (materialsproject#4180)

  Show description for 27230b1
  

  DanielYang59

  and

  shyuep

  authored
  27230b1

  Copy full SHA for 27230b1

• Explicit UTF-8 encoding for VASP input files with zopen, and open for other text files (materialsproject#4218)

  Show description for 777a6b2
  

  3 peopleauthored
  777a6b2

  Copy full SHA for 777a6b2

• Fix array comparison in core.Structure.merge_sites, also allow int property to be merged instead of float alone, mode only allow full name (materialsproject#4198)

  Show description for 361106f
  DanielYang59

  authored
  361106f

  Copy full SHA for 361106f

• Clean up util.num.make_symmetric_matrix_from_upper_tri and util.io_util.micro_pyawk, fix new ruff errors (materialsproject#4192)

  Show description for 9918e89
  DanielYang59

  authored
  9918e89

  Copy full SHA for 9918e89

• Remove unnecesary isotope conversion in core.periodic_table.get_el_sp (materialsproject#4193)

  Show description for e6aabc0
  

  3 peopleauthored
  e6aabc0

  Copy full SHA for e6aabc0

• Change get default from empty list ([]) to False when used as bool or condition check for Outcar parsing methods (materialsproject#4196)

  Show description for 2f8d6ae
  DanielYang59

  authored
  2f8d6ae

  Copy full SHA for 2f8d6ae

• Reapply zopen explicit UTF-8 encoding, enable optional EncodingWarning PEP 597 in tests (materialsproject#4222)

  Show description for 009a234
  DanielYang59

  authored
  009a234

  Copy full SHA for 009a234

• REformat using latest ruff.

  shyuep

  committed
  fb1ca91

  Copy full SHA for fb1ca91

• Merge branch 'master' of github.com:materialsproject/pymatgen

  shyuep

  committed
  1d013f3

  Copy full SHA for 1d013f3

• Fix linting.

  shyuep

  committed
  30dc805

  Copy full SHA for 30dc805

• Fix ion formula check in ion_or_solid_comp_object of analysis.pourbaix_diagram (materialsproject#4233)

  Show description for 357297f
  

  DanielYang59

  and

  pre-commit-ci[bot]

  authored
  357297f

  Copy full SHA for 357297f

• AseAtomsAdaptor: Support arbitrary selective dynamics constraints (materialsproject#4229)

  Show description for 4be17da
  yantar92

  authored
  4be17da

  Copy full SHA for 4be17da

• Fix linting.

  shyuep

  committed
  7f9b758

  Copy full SHA for 7f9b758

• Merge branch 'master' of github.com:materialsproject/pymatgen

  shyuep

  committed
  e6ec1f2

  Copy full SHA for e6ec1f2

• Update pre-commit.

  shyuep

  committed
  3b97337

  Copy full SHA for 3b97337

• Add new MP input sets / concurrently update MatPES POTCARs (materialsproject#3916)

  Show description for 266e85a
  

  3 peopleauthored
  266e85a

  Copy full SHA for 266e85a

Commits on Jan 7, 2025

• Remove is_rare_earth_metal from ElementBase (periodic_table.py) (materialsproject#4242)

  Show description for e2baa68
  jdewasseigeosium

  authored
  e2baa68

  Copy full SHA for e2baa68

• Fix CI failure for io.exciting.inputs owing to scipy constant update (materialsproject#4244)

  Show description for 9b4623d
  DanielYang59

  authored
  9b4623d

  Copy full SHA for 9b4623d

• pre-commit autoupdate (materialsproject#4245)

  Show description for 3cb5ea4
  pre-commit-ci[bot]

  authored
  3cb5ea4

  Copy full SHA for 3cb5ea4

Commits on Dec 31, 2024

• Bump phonopy to apply fix for NumPy 2 in Windows (materialsproject#4227)

  Show description for 1abc459
  DanielYang59

  authored
  1abc459

  Copy full SHA for 1abc459

• Replace some deprecated API (materialsproject#4228)

  Show description for 3be22d0
  

  DanielYang59

  and

  shyuep

  authored
  3be22d0

  Copy full SHA for 3be22d0

• Drop GULP libs from code base (materialsproject#4234)

  Show description for 5937743
  DanielYang59

  authored
  5937743

  Copy full SHA for 5937743

• [Feature] Added Pure Random Algo to OrderDisorderedStructureTransformation (materialsproject#4236)

  Show description for 9d3d82c
  

  jmmshn

  and

  pre-commit-ci[bot]

  authored
  9d3d82c

  Copy full SHA for 9d3d82c

• Fix DOS parsing for SOC calculations (materialsproject#4239)

  Show description for 300a33e
  

  kavanase

  and

  pre-commit-ci[bot]

  authored
  300a33e

  Copy full SHA for 300a33e

Commits on Dec 13, 2024

• Merge remote-tracking branch 'trunk/master'

  gmatteo

  committed
  c77648e

  Copy full SHA for c77648e

Commits on Dec 12, 2024

• Skip another failing Phonopy test in Windows after NumPy bumped to 2 in CI (materialsproject#4224)

  Show description for da607e8
  DanielYang59

  authored
  da607e8

  Copy full SHA for da607e8

• Merge remote-tracking branch 'trunk/master'

  gmatteo

  committed
  7b1e8fe

  Copy full SHA for 7b1e8fe

Commits on Dec 11, 2024

• Modify FHI-aims inputs to not use species string (materialsproject#4177)

  Show description for 653714e
  

  tpurcell90

  and

  shyuep

  authored
  653714e

  Copy full SHA for 653714e

• Fix CI failure: bump netcdf4, replace Namespace with standard dict for io.abinit.pseudos (materialsproject#4223)

  DanielYang59

  authored
  362bf54

  Copy full SHA for 362bf54

• Merge remote-tracking branch 'origin'

  gmatteo

  committed
  1af98c5

  Copy full SHA for 1af98c5

Pagination

Previous

Next