rho_tau_lcao.h

Go to the documentation of this file.

#ifndef RHO_TAU_LCAO_H
#define RHO_TAU_LCAO_H
 
#include "source_lcao/module_hcontainer/hcontainer.h"
#include "source_estate/module_charge/charge.h"
 
// generate charge density from different basis or methods
namespace LCAO_domain
{
    void dm2rho(std::vector<hamilt::HContainer<double>*> &dmr,
            const int nspin,
            Charge* chr, 
            bool skip_normalize = false);
 
    void dm2tau(std::vector<hamilt::HContainer<double>*> &dmr,
            const int nspin,
            Charge* chr);
}
 
#endif