From 8ebc840e7748551e2267cb307359df6ea59ec1fe Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Mon, 26 Jul 2021 11:33:59 -0400
Subject: [PATCH] PG-PuReMD: fix adding keyword for polarization energy.
---
PG-PuReMD/src/control.c | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/PG-PuReMD/src/control.c b/PG-PuReMD/src/control.c
index e477ee3..3af4b0c 100644
--- a/PG-PuReMD/src/control.c
+++ b/PG-PuReMD/src/control.c
@@ -374,7 +374,7 @@ void Read_Control_File( const char * const control_file, control_params * const
ival = atoi( tmp[1] );
control->cm_solver_pre_app_jacobi_iters = ival;
}
- else if ( strncmp(keyword, "include_polarization_energy", MAX_LINE) == 0 )
+ else if ( strncmp(tmp[0], "include_polarization_energy", MAX_LINE) == 0 )
{
ival = atoi( tmp[1] );
control->polarization_energy_enabled = ival;
--
GitLab