From f8daea5f3e371caa983883185fb426b98346305c Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 15 Feb 2018 05:13:59 -0500
Subject: [PATCH] make dihedrals and impropers header output consistent with
bonds and angles
---
src/write_data.cpp | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/write_data.cpp b/src/write_data.cpp
index bf00249e51..7c8838628e 100644
--- a/src/write_data.cpp
+++ b/src/write_data.cpp
@@ -243,11 +243,11 @@ void WriteData::header()
fprintf(fp,"%d angle types\n",atom->nangletypes);
}
if (atom->ndihedrals || atom->ndihedraltypes) {
- fprintf(fp,BIGINT_FORMAT " dihedrals\n",atom->ndihedrals);
+ fprintf(fp,BIGINT_FORMAT " dihedrals\n",ndihedrals);
fprintf(fp,"%d dihedral types\n",atom->ndihedraltypes);
}
if (atom->nimpropers || atom->nimpropertypes) {
- fprintf(fp,BIGINT_FORMAT " impropers\n",atom->nimpropers);
+ fprintf(fp,BIGINT_FORMAT " impropers\n",nimpropers);
fprintf(fp,"%d improper types\n",atom->nimpropertypes);
}
}
--
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