ABACUS
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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_io
json_output
output_info.h
Go to the documentation of this file.
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#ifndef OUTPUT_INFO_H
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#define OUTPUT_INFO_H
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#include "
source_cell/module_symmetry/symmetry.h
"
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#include "
source_cell/atom_spec.h
"
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#include "
source_cell/unitcell.h
"
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#include "
source_base/matrix.h
"
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namespace
Json
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{
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#ifdef __RAPIDJSON
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void
init_output_array_obj();
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void
add_output_cell_coo_stress_force(
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const
UnitCell
*ucell,
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const
ModuleBase::matrix
force,
const
double
fac,
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const
ModuleBase::matrix
stress,
const
double
unit_transform
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);
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void
add_output_efermi_converge(
const
double
efermi,
const
bool
scf_converge );
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void
add_output_energy(
const
double
energy );
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void
add_output_scf_mag(
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const
double
total_mag,
const
double
absolute_mag,
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const
double
energy,
const
double
ediff,
const
double
drho,
const
double
time
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);
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#endif
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}
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#endif
atom_spec.h
ModuleBase::matrix
Definition
matrix.h:19
UnitCell
Definition
unitcell.h:16
matrix.h
Json
In this part of the code to complete the general_info part of the json tree.
Definition
abacusjson.cpp:9
symmetry.h
unitcell.h
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