From 8d9cdb3323dea61e086008e540735d8e3f4db743 Mon Sep 17 00:00:00 2001 From: Otto Kohulak Date: Wed, 24 Jan 2024 21:27:11 +0100 Subject: [PATCH] Fix qmckl setuper --- src/m_common/qmckl.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/m_common/qmckl.f90 b/src/m_common/qmckl.f90 index 3a384a2..cae797c 100644 --- a/src/m_common/qmckl.f90 +++ b/src/m_common/qmckl.f90 @@ -29,7 +29,7 @@ subroutine setup_qmckl_ctx(& integer*4 :: ii, jj, kk, ll, mm, count - integer*4 :: shell_types_(number_of_atoms) + integer*4 :: shell_types_(number_of_shells) integer*8 :: primitive_numbers_(number_of_shells) integer*8 :: primitive_to_shell_(number_of_shells) integer*8 :: ao_factor_number_