Psi4
Namespaces | Functions

Filter out unneeded frozen core/virt integrals. More...

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 

Functions

void psi::filter (double *input, double *output, int *ioff, int norbs, int nfzc, int nfzv)
 

Detailed Description

Filter out unneeded frozen core/virt integrals.