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Commits on Jul 17, 2024

• Merge pull request #60 from DanielYang59/remove-bs-nb

  Show description for 53abce7
  shyuep

  authored
  53abce7

• Merge pull request #58 from Sudo-Raheel/master

  Show description for 2a02382
  shyuep

  authored
  2a02382

Commits on Jul 13, 2024

• run pre-commit run --all-files

  DanielYang59

  committed
  1e0a723

• remove bandstructure notebook from readme

  DanielYang59

  committed
  70aece1

Commits on Jul 8, 2024

• Update 2024-06-28-Charge_Density_Difference.ipynb

  Sudo-Raheel

  authored
  7706b52

• Update 2024-06-28-Charge_Density_Difference.ipynb

  Show description for 9f30427
  Sudo-Raheel

  authored
  9f30427

Commits on Jul 5, 2024

• removed CHGDIFF.vasp not required

  Sudo-Raheel

  committed
  144fb4d

• added low resolution chgcar data

  Sudo-Raheel

  committed
  3cacd6e

Commits on Jul 4, 2024

• Merge branch 'master' into master

  Sudo-Raheel

  authored
  00dc55e

Commits on Jun 29, 2024

• Fix AIMS example.

  shyuep

  committed
  78e38f3

• Correct use of ignore to ignore-glob

  shyuep

  committed
  c9215a8

• Merge branch 'master' into master

  shyuep

  authored
  87ca273

• Skip tests for notebooks that depend on boltztrap.

  shyuep

  committed
  18fa8a9

Commits on Jun 28, 2024

• Fix VASP input output example.

  shyuep

  committed
  013e371

• Comment out boltztrap2 install. Because it simply does not work.

  shyuep

  committed
  5996085

• Install nunmpy

  shyuep

  committed
  66181bd

• Add Si potcar.

  shyuep

  committed
  d20259a

• Add boltztrap2

  shyuep

  committed
  392764a

• Fix MPrester example.

  shyuep

  committed
  d974e83

• Fix PSP.

  shyuep

  committed
  33fd414

• Fix psp path.

  shyuep

  committed
  5d20724

• Add pwd

  shyuep

  committed
  8ed1b52

• Fix pybel import.

  shyuep

  committed
  c6aafcc

• Add some required potcars.

  shyuep

  committed
  7130128

• Fix missing conda dependencies.

  shyuep

  committed
  4add434

• Add phonopy.

  shyuep

  committed
  f733169

• Add conda dependencies like enumlib and openbabel.

  shyuep

  committed
  9dfae9e

• Add ruff rules for notebook.

  shyuep

  committed
  321ec76

• Running ruff.

  shyuep

  committed
  c40f33f

• Update workflow.

  shyuep

  committed
  fd5d54b

• Add testing using nbmake. Note: A lot of the notebooks are BROKEN.

  shyuep

  committed
  2acde7a

• Short script for computing charge density difference

  Sudo-Raheel

  committed
  fe156c1

Commits on May 15, 2024

• Merge branch 'master' of github.com:materialsvirtuallab/matgenb

  shyuep

  committed
  1cfa519

• Add FHI Aims example.

  shyuep

  committed
  2caaa22

Commits on May 15, 2023

• Merge pull request #56 from rkingsbury/master

  Show description for dfaf540
  shyuep

  authored
  dfaf540

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