From ab5fb8095ec4ea377a8fc47a7ef9aec38332fb3b Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Tue, 18 Mar 2025 17:33:34 -0700
Subject: [PATCH] initialize egas
 https://github.com/nwchemgit/nwchem/issues/1101

---
 src/nwdft/scf_dft/dft_scf.F | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/nwdft/scf_dft/dft_scf.F b/src/nwdft/scf_dft/dft_scf.F
index 1dbcee2e14..afe59e256a 100644
--- a/src/nwdft/scf_dft/dft_scf.F
+++ b/src/nwdft/scf_dft/dft_scf.F
@@ -258,6 +258,7 @@ c     == initialize DIIS call counter ==
       icall(2) = 0
 c
       gcds = 0.d0
+      egas = 0d0
       do_cosmo_vem = 0
       istep_cosmo_vem = 0
       do_cosmo_smd = .false.