pyscf/lib/shciscf/libSHCITools.c
/*
  This transformation of h1 from MO to NO basis is performed with a
  temporal cost of O(n^3).
*/
This transformation of h1 from MO to NO basis is performed with a
temporal cost of O(n^3).
This transformation of h1 from MO to NO basis is performed with a temporal cost of O ( n^3 ) .
void oneBodyTrans ( size_t norb, double * un, double * h1 )
{
  double mp[ norb * norb ]; 
  multMat2D ( norb, h1, un, mp, 1 );
  multMat2D ( norb, mp, un, h1, 0 );
}
void oneBodyTrans ( size_t norb , double * un , double * h1 ) { double mp [ norb * norb ] ; multMat2D ( norb , h1 , un , mp , 1 ) ; multMat2D ( norb , mp , un , h1 , 0 ) ; }
This transformation of h1 from MO to NO basis is performed with a
temporal cost of O(n^3).
This transformation of h1 from MO to NO basis is performed with a temporal cost of O ( n^3 ) .
// Initialize intermediate matrix