From 138dec56a3315693a81eb4d69b401d45a5058395 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Mon, 25 Jun 2012 11:31:36 +0200
Subject: [PATCH] Renamed regtests and removed PBC flag from ContactMap
---
regtest/{rt-gt-27 => rt28}/Makefile | 0
regtest/{rt-gt-27 => rt28}/config | 0
regtest/{rt-gt-28 => rt28}/derivatives.reference | 0
regtest/{rt-gt-28 => rt28}/field.1.reference | 0
regtest/{rt-gt-28 => rt28}/plumed.dat | 0
regtest/{rt-gt-27 => rt28}/trajectory.xyz | 0
regtest/{rt-gt-28 => rt29}/Makefile | 0
regtest/{rt-gt-28 => rt29}/config | 0
regtest/{rt-gt-27 => rt29}/derivatives.reference | 0
regtest/{rt-gt-27 => rt29}/plumed.dat | 0
regtest/{rt-gt-28 => rt29}/trajectory.xyz | 0
src/ContactMap.cpp | 2 +-
12 files changed, 1 insertion(+), 1 deletion(-)
rename regtest/{rt-gt-27 => rt28}/Makefile (100%)
rename regtest/{rt-gt-27 => rt28}/config (100%)
rename regtest/{rt-gt-28 => rt28}/derivatives.reference (100%)
rename regtest/{rt-gt-28 => rt28}/field.1.reference (100%)
rename regtest/{rt-gt-28 => rt28}/plumed.dat (100%)
rename regtest/{rt-gt-27 => rt28}/trajectory.xyz (100%)
rename regtest/{rt-gt-28 => rt29}/Makefile (100%)
rename regtest/{rt-gt-28 => rt29}/config (100%)
rename regtest/{rt-gt-27 => rt29}/derivatives.reference (100%)
rename regtest/{rt-gt-27 => rt29}/plumed.dat (100%)
rename regtest/{rt-gt-28 => rt29}/trajectory.xyz (100%)
diff --git a/regtest/rt-gt-27/Makefile b/regtest/rt28/Makefile
similarity index 100%
rename from regtest/rt-gt-27/Makefile
rename to regtest/rt28/Makefile
diff --git a/regtest/rt-gt-27/config b/regtest/rt28/config
similarity index 100%
rename from regtest/rt-gt-27/config
rename to regtest/rt28/config
diff --git a/regtest/rt-gt-28/derivatives.reference b/regtest/rt28/derivatives.reference
similarity index 100%
rename from regtest/rt-gt-28/derivatives.reference
rename to regtest/rt28/derivatives.reference
diff --git a/regtest/rt-gt-28/field.1.reference b/regtest/rt28/field.1.reference
similarity index 100%
rename from regtest/rt-gt-28/field.1.reference
rename to regtest/rt28/field.1.reference
diff --git a/regtest/rt-gt-28/plumed.dat b/regtest/rt28/plumed.dat
similarity index 100%
rename from regtest/rt-gt-28/plumed.dat
rename to regtest/rt28/plumed.dat
diff --git a/regtest/rt-gt-27/trajectory.xyz b/regtest/rt28/trajectory.xyz
similarity index 100%
rename from regtest/rt-gt-27/trajectory.xyz
rename to regtest/rt28/trajectory.xyz
diff --git a/regtest/rt-gt-28/Makefile b/regtest/rt29/Makefile
similarity index 100%
rename from regtest/rt-gt-28/Makefile
rename to regtest/rt29/Makefile
diff --git a/regtest/rt-gt-28/config b/regtest/rt29/config
similarity index 100%
rename from regtest/rt-gt-28/config
rename to regtest/rt29/config
diff --git a/regtest/rt-gt-27/derivatives.reference b/regtest/rt29/derivatives.reference
similarity index 100%
rename from regtest/rt-gt-27/derivatives.reference
rename to regtest/rt29/derivatives.reference
diff --git a/regtest/rt-gt-27/plumed.dat b/regtest/rt29/plumed.dat
similarity index 100%
rename from regtest/rt-gt-27/plumed.dat
rename to regtest/rt29/plumed.dat
diff --git a/regtest/rt-gt-28/trajectory.xyz b/regtest/rt29/trajectory.xyz
similarity index 100%
rename from regtest/rt-gt-28/trajectory.xyz
rename to regtest/rt29/trajectory.xyz
diff --git a/src/ContactMap.cpp b/src/ContactMap.cpp
index cb53f1077..e7724d89b 100644
--- a/src/ContactMap.cpp
+++ b/src/ContactMap.cpp
@@ -53,7 +53,7 @@ reduceListAtNextStep(false)
parseFlag("SUM",dosum);
bool nopbc=!pbc;
parseFlag("NOPBC",nopbc);
- pbc=!nopbc; parseFlag("PBC",pbc);
+ pbc=!nopbc;
// Read in the atoms
std::vector<AtomNumber> t, ga_lista, gb_lista;
--
GitLab