FIELD NOTES TOPIC

gamess

1 note, newest first.

  1. An Agentic Workflow for Legacy HPC Modernization: Converting the Two-Electron-Integral Core of GAMESS

    Source note ·

    The authors propose an agentic workflow for large-scale modernization of legacy Fortran code, specifically demonstrating it on the two-electron-integral routines of GAMESS (a 48-year old quantum chemistry software)…