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Atomic-orbital Based Ab-initio Computation at UStc
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source_io
ctrl_output_fp.h
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#ifndef CTRL_OUTPUT_FP_H
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#define CTRL_OUTPUT_FP_H
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#include "
source_estate/elecstate_lcao.h
"
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namespace
ModuleIO
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{
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void
ctrl_output_fp
(
UnitCell
& ucell,
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elecstate::ElecState
* pelec,
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ModulePW::PW_Basis_Big
* pw_big,
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ModulePW::PW_Basis
* pw_rhod,
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Charge
&chr,
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surchem
&solvent,
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Parallel_Grid
¶_grid,
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const
int
istep);
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}
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#endif
Charge
Definition
charge.h:18
ModulePW::PW_Basis_Big
Definition
pw_basis_big.h:16
ModulePW::PW_Basis
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition
pw_basis.h:56
Parallel_Grid
Definition
parallel_grid.h:8
UnitCell
Definition
unitcell.h:17
elecstate::ElecState
Definition
elecstate.h:15
surchem
Definition
surchem.h:15
elecstate_lcao.h
ModuleIO
Definition
cal_dos.h:9
ModuleIO::ctrl_output_fp
void ctrl_output_fp(UnitCell &ucell, elecstate::ElecState *pelec, ModulePW::PW_Basis_Big *pw_big, ModulePW::PW_Basis *pw_rhod, Charge &chr, surchem &solvent, Parallel_Grid ¶_grid, const int istep)
Definition
ctrl_output_fp.cpp:15
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