From 081ce8746bf1d86a2722fea596e31893f7817169 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Mon, 21 Jan 2019 19:52:15 +0100
Subject: [PATCH] PATHMSD and PROPERTYMAP: added LOG_CLOSE and DEBUG_CLOSE as
aliases to LOG-CLOSE and DEBUG-CLOSE
---
src/colvar/PathMSDBase.cpp | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/src/colvar/PathMSDBase.cpp b/src/colvar/PathMSDBase.cpp
index 8eab81a21..de184c311 100644
--- a/src/colvar/PathMSDBase.cpp
+++ b/src/colvar/PathMSDBase.cpp
@@ -44,6 +44,8 @@ void PathMSDBase::registerKeywords(Keywords& keys) {
keys.add("optional", "EPSILON", "(default=-1) the maximum distance between the close and the current structure, the positive value turn on the close structure method");
keys.add("optional", "LOG-CLOSE", "(default=0) value 1 enables logging regarding the close structure");
keys.add("optional", "DEBUG-CLOSE", "(default=0) value 1 enables extensive debugging info regarding the close structure, the simulation will run much slower");
+ keys.add("optional", "LOG_CLOSE", "same as LOG-CLOSE");
+ keys.add("optional", "DEBUG_CLOSE", "same as DEBUG-CLOSE");
}
PathMSDBase::PathMSDBase(const ActionOptions&ao):
@@ -62,7 +64,9 @@ PathMSDBase::PathMSDBase(const ActionOptions&ao):
parse("REFERENCE",reference);
parse("EPSILON", epsilonClose);
parse("LOG-CLOSE", logClose);
+ if(!logClose) parse("LOG_CLOSE", logClose);
parse("DEBUG-CLOSE", debugClose);
+ if(!debugClose) parse("DEBUG_CLOSE",debugClose);
// open the file
FILE* fp=fopen(reference.c_str(),"r");
--
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