Commit 0a4ebe21 by Francois Gygi

Removed ekin. Made ekin() and temp_ion() virtual.


git-svn-id: http://qboxcode.org/svn/qb/trunk@317 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 923873c1
......@@ -3,7 +3,7 @@
// IonicStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: IonicStepper.h,v 1.5 2004-12-10 01:05:41 fgygi Exp $
// $Id: IonicStepper.h,v 1.6 2004-12-17 23:31:00 fgygi Exp $
#ifndef IONICSTEPPER_H
#define IONICSTEPPER_H
......@@ -26,7 +26,6 @@ class IonicStepper
vector<vector< double> > rp_; // rp_[nsp_][3*na_]
vector<vector< double> > v0_; // v0_[nsp_][3*na_]
vector<double> pmass_; // pmass_[nsp_]
double ekin_; // kinetic energy
public:
......@@ -63,15 +62,8 @@ class IonicStepper
virtual void update_r(void) = 0;
virtual void update_v(void) = 0;
virtual void reset(void) {}
double ekin(void) const { return ekin_; }
double temp(void) const
{
const double boltz = 1.0 / ( 11605.0 * 2.0 * 13.6058 );
if ( ndofs_ > 0.0 )
return 2.0 * ( ekin_ / boltz ) / ndofs_;
else
return 0.0;
}
virtual double ekin(void) const { return 0.0; }
virtual double temp(void) const { return 0.0; }
virtual ~IonicStepper() {}
......
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