Commit 1b4e60ba by Francois Gygi

### Simplified loops


git-svn-id: http://qboxcode.org/svn/qb/trunk@240 cba15fb0-1239-40c8-b417-11db7ca47a34
parent a2e73ca9
 ... ... @@ -3,7 +3,7 @@ // ChargeDensity.C // //////////////////////////////////////////////////////////////////////////////// // $Id: ChargeDensity.C,v 1.5 2003-10-02 17:37:05 fgygi Exp$ // $Id: ChargeDensity.C,v 1.6 2004-06-01 23:08:08 fgygi Exp$ #include "ChargeDensity.h" #include "Basis.h" ... ... @@ -123,11 +123,18 @@ void ChargeDensity::update_density(void) //tmap["dsum"].stop(); // check integral of charge density // compute Fourier coefficients of the charge density double sum = 0.0; for ( int i = 0; i < rhor[ispin].size(); i++ ) sum += rhor[ispin][i]; const int rhor_size = rhor[ispin].size(); const double *const prhor = &rhor[ispin][0]; #pragma ivdep for ( int i = 0; i < rhor_size; i++ ) { const double prh = prhor[i]; sum += prh; rhotmp[i] = complex(omega * prh, 0.0); } sum *= omega / vft_->np012(); // cout << ctxt_.mype() << ": local integral of rhor: " << sum << endl; wf_.spincontext(ispin)->dsum('c',1,1,&sum,1); if ( ctxt_.onpe0() ) ... ... @@ -137,15 +144,8 @@ void ChargeDensity::update_density(void) cout << " " << setprecision(8) << sum << " " << endl; } // compute Fourier coefficients of the charge density for ( int i = 0; i < rhor[ispin].size(); i++ ) rhotmp[i] = rhor[ispin][i]; vft_->forward(&rhotmp[0],&rhog[ispin][0]); for ( int ig = 0; ig < vbasis_->localsize(); ig++ ) rhog[ispin][ig] *= omega; } } } ... ...
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