Commits

Branch selector

 d7400d0

User selector

All users

Datepicker

All time

Commit History

Commits on Nov 14, 2020

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

  QijingZheng

  committed
  d7400d0

  Copy full SHA for d7400d0

Commits on Nov 13, 2020

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

  QijingZheng

  committed
  4818f93

  Copy full SHA for 4818f93

Commits on Oct 28, 2020

• [pyband]

  Show description for 5547b83
  QijingZheng

  committed
  5547b83

  Copy full SHA for 5547b83

Commits on Oct 13, 2020

• [pyband] save occ data to file

  QijingZheng

  committed
  3d846db

  Copy full SHA for 3d846db

Commits on Sep 27, 2020

• [xtraj.py] fix -l cmd

  QijingZheng

  committed
  1c8d0ae

  Copy full SHA for 1c8d0ae

Commits on Sep 22, 2020

• [pyband] delete extra comments

  QijingZheng

  committed
  064dac1

  Copy full SHA for 064dac1

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

  QijingZheng

  committed
  2ef68ba

  Copy full SHA for 2ef68ba

• [pyband] delete comments

  QijingZheng

  committed
  ed60ede

  Copy full SHA for ed60ede

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

  QijingZheng

  committed
  b46f70b

  Copy full SHA for b46f70b

• [pyband] repeated keyword argument for --spin

  QijingZheng

  committed
  9a6ae94

  Copy full SHA for 9a6ae94

• [README] correct doc for pyband

  QijingZheng

  committed
  fa9e150

  Copy full SHA for fa9e150

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

  QijingZheng

  committed
  3b05568

  Copy full SHA for 3b05568

Commits on Aug 26, 2020

• [pydos] bugfix when using --elem

  QijingZheng

  committed
  90ed1b6

  Copy full SHA for 90ed1b6

Commits on Aug 12, 2020

• [pydos] bugfix spdProjections

  QijingZheng

  committed
  290bb8a

  Copy full SHA for 290bb8a

Commits on Aug 11, 2020

• [pydos] fixbugs @Ionizing

  QijingZheng

  committed
  c5c031f

  Copy full SHA for c5c031f

Commits on Aug 10, 2020

• [pydos] @Ionizing added spd parser

  QijingZheng

  committed
  8ad2186

  Copy full SHA for 8ad2186

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

  QijingZheng

  committed
  3132324

  Copy full SHA for 3132324

Commits on Jul 25, 2020

• [pyband] typo correct

  QijingZheng

  committed
  ef00b62

  Copy full SHA for ef00b62

• [pygap.py] bugfix when system is metal

  QijingZheng

  committed
  96ed854

  Copy full SHA for 96ed854

• [pyband] print function python3 compatibility

  QijingZheng

  committed
  e32b9c4

  Copy full SHA for e32b9c4

Commits on Jul 22, 2020

• [xtraj.py] bugfix when writing axsf file

  QijingZheng

  committed
  9aa7abf

  Copy full SHA for 9aa7abf

Commits on May 11, 2020

• [pyband] add header when saving band energies

  QijingZheng

  committed
  89fe950

  Copy full SHA for 89fe950

• [pyband] prettify pyband using autopep8

  QijingZheng

  committed
  f706b27

  Copy full SHA for f706b27

Commits on May 9, 2020

• [pyband] rename x/ylines to h/vlines

  QijingZheng

  committed
  ae0b7aa

  Copy full SHA for ae0b7aa

Commits on Apr 14, 2020

• pyband: add color options, horizontal/vertial lines to band plot.

  QijingZheng

  committed
  1c05af7

  Copy full SHA for 1c05af7

• pydos: correct default smearing parameter in help message

  QijingZheng

  committed
  e9125e0

  Copy full SHA for e9125e0

• typo in molAdd

  QijingZheng

  committed
  9e557aa

  Copy full SHA for 9e557aa

• Merge pull request QijingZheng#13 from Chengcheng-Xiao/master

  Show description for 950621d
  QijingZheng

  authored
  950621d

  Copy full SHA for 950621d

Commits on Mar 24, 2020

• correct molDel.py typo

  QijingZheng

  committed
  980a956

  Copy full SHA for 980a956

Commits on Feb 20, 2020

• Changed output data format to be compatiable with GNUPLOT. Updated README.

  Chengcheng-Xiao

  committed
  9080584

  Copy full SHA for 9080584

Commits on Feb 1, 2020

• 2020-02-01 crushed a bug preventing to use same different spd on same atoms, updated readme.

  Chengcheng-Xiao

  committed
  d86eeda

  Copy full SHA for d86eeda

• 2020-02-01 enable data output with spd weights

  Chengcheng-Xiao

  committed
  ea273b4

  Copy full SHA for ea273b4

• 2020-01-31 enable spd specific plots (different atom set can use different spd projections)

  Chengcheng-Xiao

  committed
  9d66d92

  Copy full SHA for 9d66d92

Commits on Jan 31, 2020

• 2020-01-31 enable range and s p d specification abilities for occupation plot.(pyband only, as of now)

  Chengcheng-Xiao

  committed
  1a2664d

  Copy full SHA for 1a2664d

Commits on Nov 28, 2019

• add neb plotting scripts

  QijingZheng

  committed
  14aed42

  Copy full SHA for 14aed42

Pagination

Previous

Next