From ca7321fdc7be1aff98e6ce52ebe9635bbfe29a89 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 28 May 2020 14:55:36 -0500 Subject: [PATCH] kpt_num interface and deinit map 2 --- src/mo_two_e_ints/mo_bi_integrals.irp.f | 4 ++-- src/nuclei/EZFIO.cfg | 3 ++- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/src/mo_two_e_ints/mo_bi_integrals.irp.f b/src/mo_two_e_ints/mo_bi_integrals.irp.f index aeef6ff6..0aa5a121 100644 --- a/src/mo_two_e_ints/mo_bi_integrals.irp.f +++ b/src/mo_two_e_ints/mo_bi_integrals.irp.f @@ -1462,9 +1462,9 @@ subroutine clear_mo_map ! Frees the memory of the MO map END_DOC call map_deinit(mo_integrals_map) - if (is_complex) then + !if (is_complex) then call map_deinit(mo_integrals_map_2) - endif + !endif FREE mo_integrals_map mo_two_e_integrals_jj mo_two_e_integrals_jj_anti FREE mo_two_e_integrals_jj_exchange mo_two_e_integrals_in_map end diff --git a/src/nuclei/EZFIO.cfg b/src/nuclei/EZFIO.cfg index a700d9b2..b4599b72 100644 --- a/src/nuclei/EZFIO.cfg +++ b/src/nuclei/EZFIO.cfg @@ -47,7 +47,8 @@ default: None [kpt_num] doc: Number of k-points type: integer -interface: ezfio, provider +interface: ezfio, provider, ocaml +default: 1 [kpt_pair_num] doc: Number of k-point pairs