Commit 8d72040a by Francois Gygi

removed variables used in older implementation, removed older implementation (pre 1.23.0)


git-svn-id: http://qboxcode.org/svn/qb/trunk@336 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 843edafa
......@@ -3,7 +3,7 @@
// NonLocalPotential.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: NonLocalPotential.h,v 1.4 2004-12-17 23:32:57 fgygi Exp $
// $Id: NonLocalPotential.h,v 1.5 2005-01-04 22:05:24 fgygi Exp $
#ifndef NONLOCALPOTENTIAL_H
#define NONLOCALPOTENTIAL_H
......@@ -29,8 +29,8 @@ class NonLocalPotential
vector<int> lmax; // lmax[is]
vector<int> lloc; // lloc[is]
vector<int> na; // na[is]
vector<int> naloc; // naloc[is]
vector<int> nalocmax; // nalocmax[is]
//vector<int> naloc; // naloc[is]
//vector<int> nalocmax; // nalocmax[is]
vector<int> npr; // npr[is]
vector<int> nprna; // nprna[is]
vector<vector<int> > lproj; // lproj[is][ipr]
......@@ -38,9 +38,9 @@ class NonLocalPotential
vector<vector<double> > twnl; // twnl[is][npr*ngwl]
vector<vector<double> > dtwnl; // dtwnl[is][6*npr*ngwl], ij=0,..,5
vector<DoubleMatrix*> anl; // anl[is][ipr*ia][ig]
vector<vector<double> > singr; // singr[is][naloc*2*ngwloc]
vector<vector<double> > cosgr; // cosgr[is][naloc*2*ngwloc]
//vector<DoubleMatrix*> anl; // anl[is][ipr*ia][ig]
//vector<vector<double> > singr; // singr[is][naloc*2*ngwloc]
//vector<vector<double> > cosgr; // cosgr[is][naloc*2*ngwloc]
vector<int> nquad; // nquad[is]
vector<vector<double> > rquad; // rquad[is][iquad], iquad = 0, nquad[is]-1
......@@ -56,8 +56,8 @@ class NonLocalPotential
~NonLocalPotential(void);
void update_twnl(void);
void update_eigr(vector<vector<double> >& tau);
void update_anl(void);
//void update_eigr(vector<vector<double> >& tau);
//void update_anl(void);
double energy(bool compute_hpsi, SlaterDet& dsd,
bool compute_forces, vector<vector<double> >& fion,
bool compute_stress, valarray<double>& sigma_enl);
......
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