JuDFTteam/masci-tools

Issues

• Reading multiple banddos.hdf file

  #244 opened a year ago by soumyajyotih
  0

• Added branch support/aiida-1.X from version 0.13.0

  #238 opened 2 years ago by Irratzo
  0

• Strange slowdown of parser function

  #220 opened 2 years ago by PhilippRue
  7

• New inpgen features in MaX6.1

  #197 opened 2 years ago by janssenhenning
  0

• HDF5Reader/DOS: Summing of muffin-tin weights broken for systems with more than 10 atomtypes

  #211 opened 2 years ago by janssenhenning
  0

• Add easy option to use Jülich coporate design color scheme in figures

  #190 opened 2 years ago by janssenhenning
  0

• Split off IO from `GreensFunction` class

  #171 opened 2 years ago by janssenhenning
  0

• `get_parameter_data` does not respect `atomGroup` overrides

  #136 opened 3 years ago by janssenhenning
  0

• `validate_nmmpmat` broken

  #134 opened 3 years ago by janssenhenning
  0

• Introduce latex labels where possible

  #131 opened 3 years ago by janssenhenning
  0

• Todos for plotting methods after fleur workshop

  #32 opened 4 years ago by janssenhenning
  3

• Linestyle only applied to spin up

  #95 opened 3 years ago by MRedies
  3

• Allow setting parameters for DOS plots without specifying the spin

  #130 opened 3 years ago by janssenhenning
  0

• Using the `area_plot` option in spin polarized DOS plots destroys the plot

  #129 opened 3 years ago by janssenhenning
  0

• Lift bokeh dependency constraint

  #120 opened 3 years ago by janssenhenning
  0

• Reduce size of bokeh regression files

  #121 opened 3 years ago by janssenhenning
  0

• Make `XPathBuilder` caseinsensitive

  #111 opened 3 years ago by janssenhenning
  0

• ``get_kpoints_data`` should also extract labelled kpoints if available

  #91 opened 3 years ago by janssenhenning
  1

• Converting complex numbers from `out.xml`

  #105 opened 3 years ago by janssenhenning
  0

• Reorganize the pytest-mpl reference images

  #61 opened 3 years ago by janssenhenning
  0

• Idea: Utility for building complex XPath expressions from simple ones

  #93 opened 3 years ago by janssenhenning
  1

• Aliiases in SchemaDict for renamed tags/attributes

  #92 opened 3 years ago by janssenhenning
  0

• Allow to add fleur schema files directly from git

  #83 opened 3 years ago by janssenhenning
  0

• Make new schemas available for the outxml_parser by default (with warning)

  #82 opened 3 years ago by janssenhenning
  0

• Implement command line interface

  #25 opened 3 years ago by janssenhenning
  1

• Add optional predefined tasks to out.xml parser

  #63 opened 3 years ago by janssenhenning
  1

• ``read_inpgen_file`` fails for comments on certain lines

  #76 opened 3 years ago by janssenhenning
  1

• Bandstructure plots for large systems

  #74 opened 3 years ago by janssenhenning
  0

• ORBcomp bug?

  #75 opened 3 years ago by MRedies
  2

• Unify conversion from and to XML for attributes and text values

  #62 opened 3 years ago by janssenhenning
  0

• Complaints about the spin arrows

  #73 opened 3 years ago by MRedies
  1

• Line plot for bands doesn't work

  #72 opened 3 years ago by MRedies
  10

• New release

  #65 opened 3 years ago by janssenhenning
  5

• How to normalize species information

  #69 opened 3 years ago by janssenhenning
  0

• Saveas doesn't support pdf

  #68 opened 3 years ago by MRedies
  2

• multiply_by_equiv_atoms=True as default

  #60 opened 3 years ago by MRedies
  2

• limits keyword does not work for DOS plots

  #57 opened 3 years ago by MRedies
  5

• Atom names seem to be wrong

  #55 opened 3 years ago by MRedies
  1

• Package size to large with several MB

  #52 opened 3 years ago by broeder-j
  2

• CPA calculations fail to set the `RMTCORE`

  #50 opened 4 years ago by JPchico
  3

• Add custom patching functions for schema dictionaries

  #47 opened 4 years ago by janssenhenning
  0

• Wishlist for xml modifying functions

  #24 opened 4 years ago by janssenhenning
  1

• Issues occurring during the fleur workshop

  #37 opened 4 years ago by janssenhenning
  1

• Implement unified way of checking dimensions, exporting and unifying data for plots

  #26 opened 4 years ago by janssenhenning
  2

• Make XML parser functions fail loud and early when not used inside the Fleur parsers

  #38 opened 4 years ago by janssenhenning
  0

• plot_convergence_results routines broken for bokeh plots

  #34 opened 4 years ago by janssenhenning
  1

• Integration todos for sisclab project 2018

  #14 opened 4 years ago by broeder-j
  1

• Changes to the output of the outxml_parser

  #10 opened 4 years ago by janssenhenning
  10

• Make schema dictionaries immutable

  #16 opened 4 years ago by janssenhenning
  0

• Make schema dictionaries case insensitive

  #12 opened 4 years ago by janssenhenning
  1