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Atomic-orbital Based Ab-initio Computation at UStc
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ctrl_output_fp.h
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1#ifndef CTRL_OUTPUT_FP_H
2#define CTRL_OUTPUT_FP_H
3
5
6namespace ModuleIO
7{
8
9 void ctrl_output_fp(UnitCell& ucell,
12 ModulePW::PW_Basis* pw_rhod,
13 Charge &chr,
14 surchem &solvent,
15 Parallel_Grid &para_grid,
16 const int istep);
17
18}
19#endif
Definition charge.h:18
Definition pw_basis_big.h:16
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition parallel_grid.h:8
Definition unitcell.h:17
Definition elecstate.h:15
Definition surchem.h:15
Definition cal_dos.h:9
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 &para_grid, const int istep)
Definition ctrl_output_fp.cpp:15