From 64b30dc10e1e1bcd59106b972ff91dbfbd585ce4 Mon Sep 17 00:00:00 2001 From: v1j4y Date: Wed, 13 Oct 2021 18:26:45 +0200 Subject: [PATCH] Added elec date for en_pot. #41 --- org/qmckl_nucleus.org | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/org/qmckl_nucleus.org b/org/qmckl_nucleus.org index e570e99..5c6d1a4 100644 --- a/org/qmckl_nucleus.org +++ b/org/qmckl_nucleus.org @@ -1199,7 +1199,7 @@ qmckl_exit_code qmckl_provide_en_potential(qmckl_context context) if (!ctx->nucleus.provided) return QMCKL_NOT_PROVIDED; /* Compute if necessary */ - if (ctx->nucleus.coord_date > ctx->nucleus.en_pot_date) { + if (ctx->electron.coord_new_date > ctx->nucleus.en_pot_date) { /* Allocate array */ if (ctx->nucleus.en_pot == NULL) {