Preview

workchains
- README.md
  
  2.5 kB
- UFF.rad
  
  1.1 kB
- cellopt_charges.py
  
  9.3 kB
- cof_ids.csv
  
  6.2 kB
- run1_cellopt.py
  
  4.9 kB
- run2_VolpoKhIsotherm_CO2_N2.py
  
  4.7 kB
- run3_calcPE.py
  
  4.2 kB
- volpo_Kh_isotherm.py
  
  18.7 kB