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@github-actions github-actions released this 07 Jun 00:55
· 42 commits to main since this release

Commits

  • 343417e: First commit with nwchem (Zarko Ivkovic) #10
  • 059d7b6: Basic HF SP calculations (Zarko Ivkovic) #10
  • d1b0141: HF & DFT - SP and basis_sets 0.5 (Zarko Ivkovic) #10
  • ee2371f: HF & DFT * functionals & dispersion * (Zarko Ivkovic) #10
  • 3e1b5c2: HF & DFT essential calculations 1.0 (Zarko Ivkovic) #10
  • 5ea0f3d: Fixed exchange-correlation functionals (Zarko Ivkovic) #10
  • 31cee20: Support for additional commands (Zarko Ivkovic) #10
  • b743e97: First pull request, HF & DFT essential calculations (Zarko Ivkovic) #10
  • f43c724: HF & DFT fixed, still no tests :( (Zarko Ivkovic) #10
  • 4eb2d39: HF & DFT fixed, still no tests :( no print (Zarko Ivkovic) #10
  • 9176a44: Code style standardization (Lint Action)