pyscf/lib/shciscf/libSHCITools.c
/*
  This function transforms the eri array sequentially from the MO to NO
  basis. Like oneBodyTrans() this function uses no special algorithms to
  optimize performance and has a time cost of O(n^5).
*/
This function transforms the eri array sequentially from the MO to NO
basis. Like oneBodyTrans() this function uses no special algorithms to
optimize performance and has a time cost of O(n^5).
This function transforms the eri array sequentially from the MO to NO basis . Like oneBodyTrans () this function uses no special algorithms to optimize performance and has a time cost of O ( n^5 ) .
void twoBodyTrans ( size_t norb, double * un, double * eri )
{
  size_t norb4 = norb * norb * norb * norb;
  double interMat1[ norb4 ];
  multMat4D( norb, eri, un, interMat1, 3 );
  multMat4D( norb, interMat1, un, eri, 2 );
  multMat4D( norb, eri, un, interMat1, 1 );
  multMat4D( norb, interMat1, un, eri, 0 );
}
void twoBodyTrans ( size_t norb , double * un , double * eri ) { size_t norb4 = norb * norb * norb * norb ; double interMat1 [ norb4 ] ; multMat4D ( norb , eri , un , interMat1 , 3 ) ; multMat4D ( norb , interMat1 , un , eri , 2 ) ; multMat4D ( norb , eri , un , interMat1 , 1 ) ; multMat4D ( norb , interMat1 , un , eri , 0 ) ; }
This function transforms the eri array sequentially from the MO to NO
basis.
This function transforms the eri array sequentially from the MO to NO basis .