diff --git a/src/csf/cfgCI_utils.c b/src/csf/cfgCI_utils.c index 76b64dd0..3510db37 100644 --- a/src/csf/cfgCI_utils.c +++ b/src/csf/cfgCI_utils.c @@ -255,23 +255,24 @@ void generateAllBFs(int64_t Isomo, int64_t MS, Tree *bftree, int *NBF, int *NSOM void ortho_qr_csf(double *overlapMatrix, int lda, double *orthoMatrix, int rows, int cols); -void gramSchmidt_qp(double *overlapMatrix, int rows, int cols, double *orthoMatrix){ - int i,j; - //for(j=0;j