VlachosGroup/PythonGroupAdditivity

Issues

• get_S method for lib entries goes to incomplete.py method, which requires additional S_elements inputs

  #21 opened a year ago by ericchen-udel
  1

• SMARTS/SMILES

  #23 opened a year ago by pythonnewbie3
  1

• Update to Python 3.10: need to change Mapping import

  #20 opened 2 years ago by ericchen-udel
  1

• get_G does not account for entropy of the elements

  #17 opened 2 years ago by gmboyer
  1

• get_H and get_HoRT returning type error

  #15 opened 2 years ago by cjholdship
  3

• Fix RINGParser and RDKit Wrapper test scripts

  #5 opened 2 years ago by wittregr
  1

• Parsing long SMILES fails

  #18 opened 2 years ago by wittregr
  1

• Nitro group

  #16 opened 5 years ago by l0d0v1c
  2

• Gauche still spelt wrong in corrections.yaml

  #14 opened 5 years ago by cjholdship
  3

• Typo in corrections.yaml

  #13 opened 5 years ago by cjholdship
  1

• Output enthalpy values not matching expected values

  #12 opened 5 years ago by cjholdship
  2

• Add pMuTT.constants for all constants in VGA

  #6 opened 5 years ago by wittregr
  1

• Remove function overlap between pgradd's unit conversion and pmutt's

  #10 opened 5 years ago by mbolinas
  0

• Development Environment

  #2 opened 5 years ago by wittregr
  1

• Interface with pMuTT

  #4 opened 5 years ago by jonlym
  1

• Sphinx page for VGA

  #3 opened 5 years ago by wittregr
  1