@@ -27,26 +27,26 @@ class ESolver_KS : public ESolver_FP
2727
2828 virtual void before_all_runners (const Input_para& inp, UnitCell& cell) override ;
2929
30- virtual void init_after_vc (const Input_para& inp, UnitCell& cell) override ; // liuyu add 2023-03-09
31-
3230 virtual void runner (const int istep, UnitCell& cell) override ;
3331
34- // calculate electron density from a specific Hamiltonian
35- virtual void hamilt2density (const int istep, const int iter, const double ethr);
36-
37- // calculate electron states from a specific Hamiltonian
38- virtual void hamilt2estates (const double ethr) {};
39-
4032 protected:
4133 // ! Something to do before SCF iterations.
4234 virtual void before_scf (const int istep) {};
4335
36+ virtual void init_after_vc (const Input_para& inp, UnitCell& cell) override ; // liuyu add 2023-03-09
37+
4438 // ! Something to do before hamilt2density function in each iter loop.
4539 virtual void iter_init (const int istep, const int iter);
4640
4741 // ! Something to do after hamilt2density function in each iter loop.
4842 virtual void iter_finish (const int istep, int & iter);
4943
44+ // calculate electron density from a specific Hamiltonian
45+ virtual void hamilt2density (const int istep, const int iter, const double ethr);
46+
47+ // calculate electron states from a specific Hamiltonian
48+ virtual void hamilt2estates (const double ethr) {};
49+
5050 // ! Something to do after SCF iterations when SCF is converged or comes to the max iter step.
5151 virtual void after_scf (const int istep) override ;
5252
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