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Commits on Mar 28, 2023

• Update README.md

  metateca-org

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Commits on Dec 1, 2022

• [pyband] bugfix for nseg when using --hse

  QijingZheng

  committed
  7d98d2e

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• remove unwanted file

  QijingZheng

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  696dee9

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• [pygap] bugfix for version 6.x

  QijingZheng

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Commits on Nov 29, 2022

• [pyband] bugfix vlines

  QijingZheng

  committed
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Commits on Feb 15, 2022

• [pyband] bugfix for spin-polarized vasp 6.2 outcar

  QijingZheng

  committed
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Commits on Feb 1, 2022

• [pyband] bugfix when reading VASP)6.2 OUTCAR

  QijingZheng

  committed
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Commits on Nov 11, 2021

• [pydos/pyband] do not show error message if iamge view fails

  QijingZheng

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Commits on Sep 24, 2021

• [pyband] add hse band plot

  QijingZheng

  committed
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Commits on Sep 23, 2021

• [pyband] add k-point separator when designating k-path

  QijingZheng

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Commits on May 28, 2021

• [nose_mass.py] script to estimate Nose mass

  QijingZheng

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Commits on May 26, 2021

• [velInit.py] use force_temp in MaxwellDistribution to scale the temp

  QijingZheng

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Commits on Apr 12, 2021

• [xtraj.py] permission from 644 to 755

  QijingZheng

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• [pyband] rename pygap.py to pygap

  QijingZheng

  committed
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Commits on Jan 25, 2021

• [plot_workfunc.py] add fermi level correction and more logging info

  QijingZheng

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Commits on Jan 11, 2021

• [plot-workfunc.py] planar average of LOCPOT by @Ionizing

  QijingZheng

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Commits on Nov 30, 2020

• [pyband] add comment for --spin option

  QijingZheng

  committed
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Commits on Nov 14, 2020

• [pygap.py] cml parser change to argparse; add band gap of selected k-points

  QijingZheng

  committed
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Commits on Nov 13, 2020

• [pydos] bugfix when using --elem "XX"

  QijingZheng

  committed
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Commits on Oct 28, 2020

• [pyband]

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  QijingZheng

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Commits on Oct 13, 2020

• [pyband] save occ data to file

  QijingZheng

  committed
  3d846db

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Commits on Sep 27, 2020

• [xtraj.py] fix -l cmd

  QijingZheng

  committed
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Commits on Sep 22, 2020

• [pyband] delete extra comments

  QijingZheng

  committed
  064dac1

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• [pyband] add possibility to change colorbar ticks/ticklabels/range

  QijingZheng

  committed
  2ef68ba

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• [pyband] delete comments

  QijingZheng

  committed
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• [pyband] set colorbar ticklabel positiosn top when using horizontal colorbar

  QijingZheng

  committed
  b46f70b

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• [pyband] repeated keyword argument for --spin

  QijingZheng

  committed
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• [README] correct doc for pyband

  QijingZheng

  committed
  fa9e150

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• [pyband] add --spin to show the magnetization contributions for soc procar

  QijingZheng

  committed
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Commits on Aug 26, 2020

• [pydos] bugfix when using --elem

  QijingZheng

  committed
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Commits on Aug 12, 2020

• [pydos] bugfix spdProjections

  QijingZheng

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Commits on Aug 11, 2020

• [pydos] fixbugs @Ionizing

  QijingZheng

  committed
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Commits on Aug 10, 2020

• [pydos] @Ionizing added spd parser

  QijingZheng

  committed
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• [pydos] select atoms by elements and new selection methods. @Ionizing

  QijingZheng

  committed
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Commits on Jul 25, 2020

• [pyband] typo correct

  QijingZheng

  committed
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