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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#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"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 |
| #define private public |