Commit b03c39fe by Francois Gygi

corrected misspelled ANDERSEN


git-svn-id: http://qboxcode.org/svn/qb/trunk@478 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 0b938310
......@@ -3,7 +3,7 @@
// MDIonicStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: MDIonicStepper.C,v 1.10 2006-08-22 15:16:10 fgygi Exp $
// $Id: MDIonicStepper.C,v 1.11 2006-11-05 02:06:29 fgygi Exp $
#include "MDIonicStepper.h"
......@@ -71,7 +71,7 @@ void MDIonicStepper::compute_v(double e0, const vector<vector< double> >& f0)
}
ekin_ *= fac * fac;
}
else if ( thermostat_ == "ANDERSON" )
else if ( thermostat_ == "ANDERSEN" )
{
const double boltz = 1.0 / ( 11605.0 * 2.0 * 13.6058 );
for ( int is = 0; is < nsp_; is++ )
......
......@@ -3,7 +3,7 @@
// Thermostat.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Thermostat.h,v 1.2 2006-08-22 15:16:10 fgygi Exp $
// $Id: Thermostat.h,v 1.3 2006-11-05 02:06:15 fgygi Exp $
#ifndef THERMOSTAT_H
#define THERMOSTAT_H
......@@ -33,10 +33,10 @@ class Thermostat : public Var
}
string v = argv[1];
if ( !( v == "SCALING" || v == "ANDERSON" || v == "LOWE" || v == "OFF" ) )
if ( !( v == "SCALING" || v == "ANDERSEN" || v == "LOWE" || v == "OFF" ) )
{
if ( ui->onpe0() )
cout << " thermostat must be SCALING or ANDERSON or LOWE or OFF"
cout << " thermostat must be SCALING or ANDERSEN or LOWE or OFF"
<< endl;
return 1;
}
......
......@@ -31,6 +31,7 @@ BOSampleStepper.C: Moved Kerker preconditioning of charge density update
before Anderson acceleration.
ChargeMixCoeff.h: Changed default value to 1.0
ExtStress.h: initialize with zero in ctor
MDIonicStepper.C, Thermostat.h: corrected misspelled ANDERSEN
--------------------------------------------------------------------------------
rel1_30_0
D3vector.h: modified ctor to avoid accidental use with only one argument.
......
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