From aac2c60971f81e277c08d132d13e12170e6be240 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 30 Jan 2020 14:57:49 -0600 Subject: [PATCH] cleanup integral import --- src/utils_periodic/import_integrals_ao_periodic.irp.f | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/src/utils_periodic/import_integrals_ao_periodic.irp.f b/src/utils_periodic/import_integrals_ao_periodic.irp.f index 039af101..e352cabd 100644 --- a/src/utils_periodic/import_integrals_ao_periodic.irp.f +++ b/src/utils_periodic/import_integrals_ao_periodic.irp.f @@ -1,7 +1,4 @@ -program print_integrals - print *, 'Number of AOs?' - read(*,*) ao_num - TOUCH ao_num +program import_ao_integrals_periodic call run end @@ -25,7 +22,7 @@ subroutine run double precision :: sign - call ezfio_set_ao_basis_ao_num(ao_num) +! call ezfio_set_ao_basis_ao_num(ao_num) allocate (A(ao_num,ao_num), B(ao_num,ao_num) )