From 3d3807dc34dc57b4577228fc475ae45514fa044d Mon Sep 17 00:00:00 2001 From: Loris Burth Date: Wed, 2 Apr 2025 15:34:49 +0200 Subject: [PATCH] small bug fix --- src/utils/complex_orthogonalization.f90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/utils/complex_orthogonalization.f90 b/src/utils/complex_orthogonalization.f90 index 3154f77..bb1fea4 100644 --- a/src/utils/complex_orthogonalization.f90 +++ b/src/utils/complex_orthogonalization.f90 @@ -38,6 +38,7 @@ subroutine complex_orthonormalize(N,vectors,A) ! Copy the input matrix to a temporary matrix allocate(L(N,N),Linv(N,N)) + L = matmul(matmul(transpose(vectors),A),vectors) call complex_cholesky_decomp(N,L) call complex_inverse_matrix(N,L,Linv) @@ -58,7 +59,7 @@ subroutine complex_normalize_RPA(nS,XYYX) complex*16,allocatable :: A(:,:) allocate(A(2*nS,2*nS)) - A(:,:) = (0d0,0d0) + A(:,:) = cmplx(0d0,0d0,kind=8) do i=1,nS A(i,i) = 1 A(i+nS,i+nS) = -1