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Atomic-orbital Based Ab-initio Computation at UStc
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for_testing_input_conv.h File Reference
#include "source_io/module_parameter/parameter.h"
#include "source_cell/module_symmetry/symmetry.h"
#include "source_cell/unitcell.h"
#include "source_estate/elecstate_lcao.h"
#include "source_estate/module_charge/charge_mixing.h"
#include "source_estate/occupy.h"
#include "source_estate/module_pot/H_TDDFT_pw.h"
#include "source_estate/module_pot/efield.h"
#include "source_estate/module_pot/gatefield.h"
#include "source_lcao/FORCE_STRESS.h"
#include "source_lcao/module_dftu/dftu.h"
#include "source_lcao/module_rt/evolve_elec.h"
#include "source_lcao/module_rt/td_velocity.h"
#include "source_pw/module_pwdft/VNL_in_pw.h"
#include "source_pw/module_pwdft/structure_factor.h"
#include "source_hsolver/hsolver_lcao.h"
#include "source_io/berryphase.h"
#include "source_io/restart.h"
#include "source_md/md_func.h"
#include "source_relax/bfgs_basic.h"
#include "source_relax/ions_move_basic.h"
#include "source_relax/ions_move_cg.h"
#include "source_relax/lattice_change_basic.h"
Include dependency graph for for_testing_input_conv.h:

Go to the source code of this file.

Namespaces

namespace  MD_func
 base functions in md
 
namespace  GlobalC
 

Macros

#define private   public
 

Functions

void MD_func::current_md_info (const int &my_rank, const std::string &file_dir, int &md_step, double &temperature)
 determine thr current md step and temperature
 

Variables

ModuleDFTU::DFTU GlobalC::dftu
 
Restart GlobalC::restart
 

Macro Definition Documentation

◆ private

#define private   public