Issues
- 0
Linked jobs
#29 opened - 0
Property contribution wrt volume element
#27 opened - 0
Timing
#25 opened - 1
Solvent-solvent fragment exclusion
#24 opened - 0
Units
#22 opened - 0
Molecular mass
#17 opened - 4
FChk Data Handling
#16 opened - 5
Gaussian job submission
#14 opened - 2
Data cooking
#13 opened - 1
- 7
JSON data handling
#10 opened - 0
Submit scripts
#9 opened - 2
- 1
molecule.extract_subsets for SSFC
#7 opened - 0
os -> pathlib switch
#6 opened - 1
Update input file generation
#5 opened - 1
Input file generation
#4 opened - 1
DFT methods
#3 opened - 0
Wfn vs dft method
#2 opened - 1
Harcoded n_body_func
#1 opened