CurtisColwell/StrainViz

Issues

• Proton_opt.py test failed

  #46 opened 10 months ago by ybfu
  0

• Is it possible to analyse a macrocycle including transition metals with non-coordinative bonds?

  #45 opened a year ago by Raptor1453
  5

• Problem in reproducing the results.

  #44 opened a year ago by Flumar89
  1

• How to tune the color bar scale and color for a certain molecule?

  #43 opened 2 years ago by WangLulu97
  4

• ValueError: min() arg is an empty sequence

  #42 opened 2 years ago by lr8616
  3

• Total energy per step

  #41 opened 5 years ago by CurtisColwell
  0

• Total strain in a fragment

  #40 opened 5 years ago by CurtisColwell
  0

• Further updates

  #18 opened 5 years ago by CurtisColwell
  1

• Raw data output file

  #27 opened 5 years ago by CurtisColwell
  1

• Error handling

  #24 opened 6 years ago by CurtisColwell
  0

• Only one processor used for Gaussian

  #22 opened 6 years ago by CurtisColwell
  0

• README Updates

  #19 opened 6 years ago by CurtisColwell
  1

• Ian's Suggestions

  #12 opened 6 years ago by CurtisColwell
  4

• README update

  #8 opened 6 years ago by CurtisColwell
  0

• Add CircleCI

  #16 opened 6 years ago by CurtisColwell
  0

• Write an input file builder

  #10 opened 6 years ago by CurtisColwell
  0

• Overhaul Strain Quantification

  #5 opened 6 years ago by CurtisColwell
  1

• Remove Jupyter notebooks

  #3 opened 6 years ago by CurtisColwell
  0