From 62b1023ab9024933dc1053da6601448abd712fab Mon Sep 17 00:00:00 2001
From: carlocamilloni <carlo.camilloni@gmail.com>
Date: Thu, 30 Nov 2017 10:16:32 +0100
Subject: [PATCH] removed warnings
---
src/cltools/pesmd.cpp | 8 ++------
src/multicolvar/VolumeGradientBase.h | 2 +-
2 files changed, 3 insertions(+), 7 deletions(-)
diff --git a/src/cltools/pesmd.cpp b/src/cltools/pesmd.cpp
index ad7a9183d..0baa1807c 100755
--- a/src/cltools/pesmd.cpp
+++ b/src/cltools/pesmd.cpp
@@ -229,16 +229,12 @@ public:
plumed->cmd("calc");
-// potential=calc_energy(positions,forces);
double therm_eng=0;
-
FILE* fp=fopen("stats.out","w+");
-// double conserved = potential+1.5*ttt+therm_eng; FILE* fp=fopen("stats.out","w+");
-// if( pc.Get_rank()==0 ) fprintf(fp,"%d %f %f \n", 0, 0., tke, therm_eng );
for(int istep=0; istep<nsteps; ++istep) {
- if( istep%20==0 && pc.Get_rank()==0 ) printf("Doing step %u\n",istep);
+ if( istep%20==0 && pc.Get_rank()==0 ) printf("Doing step %i\n",istep);
// Langevin thermostat
double lscale=exp(-0.5*tstep/friction);
@@ -305,7 +301,7 @@ public:
// Print everything
// conserved = potential+1.5*ttt+therm_eng;
- if( pc.Get_rank()==0 ) fprintf(fp,"%u %f %f %f \n", istep, istep*tstep, tke, therm_eng );
+ if( pc.Get_rank()==0 ) fprintf(fp,"%i %f %f %f \n", istep, istep*tstep, tke, therm_eng );
}
fclose(fp);
diff --git a/src/multicolvar/VolumeGradientBase.h b/src/multicolvar/VolumeGradientBase.h
index 4a92757fc..22d8ff8ad 100644
--- a/src/multicolvar/VolumeGradientBase.h
+++ b/src/multicolvar/VolumeGradientBase.h
@@ -81,7 +81,7 @@ Vector VolumeGradientBase::getPosition( int iatom ) const {
// This is for numerical derivatives of quantity wrt to the local atoms
Vector tmp_p = ActionAtomistic::getPosition(iatom);
if( bridgeVariable<3*getNumberOfAtoms() ) {
- if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon);
+ if( static_cast<int>(bridgeVariable)>=3*iatom && static_cast<int>(bridgeVariable)<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon);
}
// This makes sure that numerical derivatives of virial are calculated correctly
tmp_p = ActionAtomistic::getPbc().realToScaled( tmp_p );
--
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