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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
rjones
2013-08-21 23:06:07 +00:00
parent 0f69054d68
commit d77ab2f96a
161 changed files with 3811 additions and 2548 deletions
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13
lib/atc/ElectronChargeDensity.h
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@ -3,10 +3,7 @@
#include <map>
#include <string>
using std::map;
using std::string;
#include <fstream>
#include "ATC_TypeDefs.h"
#include "Function.h"
@ -46,7 +43,7 @@ namespace ATC {
class ElectronChargeDensityInterpolation : public ElectronChargeDensity
{
public:
ElectronChargeDensityInterpolation(fstream &matfile,map<string,double> & parameters);
ElectronChargeDensityInterpolation(std::fstream &matfile,std::map<std::string,double> & parameters);
virtual ~ElectronChargeDensityInterpolation() {};
virtual bool electron_charge_density(const FIELD_MATS &fields,
DENS_MAT &flux) const
@ -87,7 +84,7 @@ namespace ATC {
class ElectronChargeDensityLinear : public ElectronChargeDensity
{
public:
ElectronChargeDensityLinear(fstream &matfile,map<string,double> & parameters);
ElectronChargeDensityLinear(std::fstream &matfile,std::map<std::string,double> & parameters);
virtual ~ElectronChargeDensityLinear() {};
virtual bool electron_charge_density(const FIELD_MATS &fields,
DENS_MAT &flux) const
@ -119,7 +116,7 @@ namespace ATC {
class ElectronChargeDensityExponential : public ElectronChargeDensity
{
public:
ElectronChargeDensityExponential(fstream &matfile,map<string,double> & parameters);
ElectronChargeDensityExponential(std::fstream &matfile,std::map<std::string,double> & parameters);
virtual ~ElectronChargeDensityExponential() {};
double n(const double phi, double T) const
@ -190,7 +187,7 @@ namespace ATC {
class ElectronChargeDensityFermiDirac : public ElectronChargeDensity
{
public:
ElectronChargeDensityFermiDirac(fstream &matfile,map<string,double> & parameters);
ElectronChargeDensityFermiDirac(std::fstream &matfile,std::map<std::string,double> & parameters);
virtual ~ElectronChargeDensityFermiDirac() {};
double fermi_dirac(const double E, const double T) const
{