From f65b7c0ead0694e2887a8b5a2cf22403461f16cf Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Mon, 9 Dec 2019 12:16:48 -0600 Subject: [PATCH] minor name change --- src/ao_one_e_ints/ao_overlap.irp.f | 2 +- src/nuclei/EZFIO.cfg | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/ao_one_e_ints/ao_overlap.irp.f b/src/ao_one_e_ints/ao_overlap.irp.f index b3b5c206..d7300936 100644 --- a/src/ao_one_e_ints/ao_overlap.irp.f +++ b/src/ao_one_e_ints/ao_overlap.irp.f @@ -109,7 +109,7 @@ BEGIN_PROVIDER [ double precision, ao_overlap_abs,(ao_num,ao_num) ] double precision :: A_center(3), B_center(3) integer :: power_A(3), power_B(3) double precision :: lower_exp_val, dx - if (periodic) then + if (is_periodic) then do j=1,ao_num do i= 1,ao_num ao_overlap_abs(i,j)= cdabs(ao_overlap_complex(i,j)) diff --git a/src/nuclei/EZFIO.cfg b/src/nuclei/EZFIO.cfg index 0f9b63eb..34c27c46 100644 --- a/src/nuclei/EZFIO.cfg +++ b/src/nuclei/EZFIO.cfg @@ -32,7 +32,7 @@ doc: Nuclear repulsion (Computed automaticaly or Read in the |EZFIO|) type:double precision interface: ezfio -[periodic] +[is_periodic] type: logical doc: If true, the calculation uses periodic boundary conditions interface: ezfio, provider, ocaml