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Atomic-orbital Based Ab-initio Computation at UStc
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update_pot.h
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1#ifndef UPDATE_POT_H
2#define UPDATE_POT_H
3
6
7namespace elecstate
8{
9
10void update_pot(UnitCell& ucell, // unitcell
11 elecstate::ElecState* &pelec, // pointer of electrons
12 const Charge &chr,
13 const bool conv_esolver); // charge density
14}
15
16
17#endif
Definition charge.h:18
Definition unitcell.h:17
Definition elecstate.h:15
Definition cal_dm.h:10
void update_pot(UnitCell &ucell, elecstate::ElecState *&pelec, const Charge &chr, const bool conv_esolver)
Definition update_pot.cpp:4