ABACUS
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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_md
run_md.h
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#ifndef RUN_MD_H
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#define RUN_MD_H
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#include "
source_esolver/esolver.h
"
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#include "
source_io/module_parameter/parameter.h
"
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namespace
Run_MD
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{
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void
md_line
(
UnitCell
& unit_in,
ModuleESolver::ESolver
* p_esolver,
const
Parameter
& param_in);
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}
// namespace Run_MD
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#endif
ModuleESolver::ESolver
Definition
esolver.h:11
Parameter
Definition
parameter.h:13
UnitCell
Definition
unitcell.h:16
esolver.h
Run_MD
the md loop line
Definition
run_md.cpp:16
Run_MD::md_line
void md_line(UnitCell &unit_in, ModuleESolver::ESolver *p_esolver, const Parameter ¶m_in)
the md loop line
Definition
run_md.cpp:18
parameter.h
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