[molpro-user] Convert Hartree-Fock wavefunction file to csv/txt file?
hongxia_hao at brown.edu
Fri Mar 16 00:24:13 CET 2018
I want to use the Hartree-Fock(HF) wavefunction generated from Molpro. What
I did is in the following, and it generates the .wf file for me. I assume
this is the way how to write the final HF wavefunctions in file. Am I
correct? If yes, how could we transfer this .wf file to some .txt file then
we can read it?
r2= 1.64815824 ANG
B, 1, r2
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