From 716013bc144b1cb27006a2ac7472e38897d8eff3 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sun, 14 May 2017 11:23:20 +0100
Subject: [PATCH] Ran astyle
---
src/gridtools/HistogramOnGrid.cpp | 2 +-
src/multicolvar/VolumeBetweenContours.cpp | 8 ++++----
2 files changed, 5 insertions(+), 5 deletions(-)
diff --git a/src/gridtools/HistogramOnGrid.cpp b/src/gridtools/HistogramOnGrid.cpp
index 7947b9a7e..0b1e7d312 100644
--- a/src/gridtools/HistogramOnGrid.cpp
+++ b/src/gridtools/HistogramOnGrid.cpp
@@ -169,7 +169,7 @@ void HistogramOnGrid::calculate( const unsigned& current, MultiValue& myvals, st
buffer[ bufstart + gridbuf + nder + 1 + kder ] += myvals.getDerivative( 0, kder );
}
}
- if( kernel ) delete kernel;
+ if( kernel ) delete kernel;
for(unsigned i=0; i<dimension; ++i) delete vv[i];
}
}
diff --git a/src/multicolvar/VolumeBetweenContours.cpp b/src/multicolvar/VolumeBetweenContours.cpp
index cfbf8f6c2..e375e3b89 100644
--- a/src/multicolvar/VolumeBetweenContours.cpp
+++ b/src/multicolvar/VolumeBetweenContours.cpp
@@ -30,7 +30,7 @@
This quantity can be used to calculate functions of the distribution of collective
variables for the atoms that lie in a region where the density of a certain type of atom is high.
-This collective variable can be used to determine whether colvars are within region where the density
+This collective variable can be used to determine whether colvars are within region where the density
of a particular atom is high. This is achieved by calculating the following function at the point where
the atom is located \f$(x,y,z)\f$:
@@ -46,7 +46,7 @@ multicolvar.
The input below calculates a density field from the positions of atoms 1-14400. The number of the atoms
that are specified in the DENSITY action that are within a region where the density field is greater than
-2.0 is then calculated.
+2.0 is then calculated.
\verbatim
d1: DENSITY SPECIES=14401-74134:3 LOWMEM
@@ -137,9 +137,9 @@ double VolumeInEnvelope::calculateNumberInside( const Vector& cpos, Vector& deri
}
vir -= Tensor( tder, dist );
}
- double deriv, fval = sfunc.calculate( value, deriv );
+ double deriv, fval = sfunc.calculate( value, deriv );
derivatives *= -deriv*value; vir *= -deriv*value;
- for(unsigned i=1;i<natoms;++i) refders[ indices[i] ] *= -deriv*value;
+ for(unsigned i=1; i<natoms; ++i) refders[ indices[i] ] *= -deriv*value;
return 1.0 - fval;
}
--
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