ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for FIRE, including all inherited members.
allmass | MD_base | |
alpha | FIRE | private |
alpha_start | FIRE | private |
cal_stress | MD_base | protected |
check_fire(void) | FIRE | private |
check_force(void) | FIRE | private |
dt_max | FIRE | private |
energy_ | MD_base | protected |
f_alpha | FIRE | private |
fdec | FIRE | private |
finc | FIRE | private |
FIRE(const Parameter ¶m_in, UnitCell &unit_in) | FIRE | |
first_half(std::ofstream &ofs) | FIRE | privatevirtual |
force | MD_base | |
force_thr | FIRE | private |
frozen_freedom_ | MD_base | |
ionmbl | MD_base | |
kinetic | MD_base | |
max | FIRE | private |
MD_base(const Parameter ¶m_in, UnitCell &unit_in) | MD_base | |
md_dt | MD_base | protected |
md_tfirst | MD_base | protected |
md_tlast | MD_base | protected |
mdp | MD_base | protected |
my_rank | MD_base | protected |
n_min | FIRE | private |
negative_count | FIRE | private |
pos | MD_base | |
potential | MD_base | |
print_md(std::ofstream &ofs, const bool &cal_stress) | FIRE | privatevirtual |
restart(const std::string &global_readin_dir) | FIRE | privatevirtual |
second_half() | FIRE | privatevirtual |
setup(ModuleESolver::ESolver *p_esolver, const std::string &global_readin_dir) | FIRE | privatevirtual |
step_ | MD_base | |
step_rst_ | MD_base | |
stop | MD_base | |
stress | MD_base | |
t_current | MD_base | |
ucell | MD_base | protected |
update_pos() | MD_base | protectedvirtual |
update_vel(const ModuleBase::Vector3< double > *force) | MD_base | protectedvirtual |
vel | MD_base | |
virial | MD_base | |
write_restart(const std::string &global_out_dir) | FIRE | privatevirtual |
~FIRE() | FIRE | |
~MD_base() | MD_base | virtual |