Teoroo-CMC/CCS

Issues

• Possible bug in ccs_export_sktable

  #24 opened a year ago by vanderhe
  1

• The steep wall is poorly resolved from the CCS data, but here's a possible suggestion for a fix.

  #23 opened 2 years ago by ThijsSmolders
  1

• Adding acknowledgements and contributors

  #15 opened 2 years ago by ThijsSmolders
  1

• Bug in specifying spline arguments for Xx-ELEMENT specifications.

  #18 opened 2 years ago by ThijsSmolders
  1

• Allow for fixation of certain interactions.

  #22 opened 2 years ago by ThijsSmolders
  1

• Allow for weighting of force fitting

  #21 opened 2 years ago by ThijsSmolders
  0

• Make CCS calculator compliant with ASE standards

  #19 opened 2 years ago by ThijsSmolders
  0

• Dictionary of which element pairs to fit is randomly ordered

  #14 opened 2 years ago by ThijsSmolders
  0

• Switch finding can be slow for many pairs

  #17 opened 2 years ago by ThijsSmolders
  0

• Use itertools to loop over elements

  #16 opened 2 years ago by ThijsSmolders
  0

• Innermost datapoint below rmin set in CCS_params.json

  #13 opened 2 years ago by ThijsSmolders
  0

• Incompatibility with latest release of fortnet-python

  #10 opened 2 years ago by vanderhe
  1

• Questionable files checked in

  #9 opened 2 years ago by vanderhe
  1

• Fetch script crashes for non-periodic systems

  #3 opened 2 years ago by vanderhe
  1