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theochem / fanpy

Projectively-optimized geminal and "fancyCI" wavefunctions
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Make minor corrections to scripts #84

Closed kimt33 closed 5 years ago

kimt33 commented 5 years ago
  1. Printed energy in wfns_make_script.py is the electronic energy but it was called "Final Energy". Now, both the electronic energy and the total energy are printed. Partly addresses Issue #75
  2. Add option for adding noise to the hamiltonian and wavefunction parameters. Addresses Issue #81
  3. Fix --nuc-repulsion keyword argument in script
kimt33 commented 5 years ago

Add FANPT