[molpro-user] Print all the CSF in a MRCI calculation (Jos? Cort?s)

José Cortés zolidus at gmail.com
Wed Jun 17 21:15:54 BST 2015


There is a way to print all the coefficients.
Simply change the variable "maxpr" in the file
*/Molpro/src/mrci/ciexit.F and give it a very large value.
After Molpro must be recompiled.

Jose Jara
Universidad Nacional
Autonoma de Mexico
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