update potential, now it works with 2 parameters

Author: abacus_fixer

source/source_io/module_chgpot/write_elecstat_pot.cpp

@@ -21,7 +21,8 @@ void write_elecstat_pot(
     const Charge* const chr,
     const UnitCell* ucell,
     const double* v_eff,
-    const surchem& solvent)
+    const surchem& solvent,
+    const int precision)
 {
     ModuleBase::TITLE("ModuleIO", "write_elecstat_pot");
     ModuleBase::timer::tick("ModuleIO", "write_elecstat_pot");
@@ -88,7 +89,6 @@ void write_elecstat_pot(
     //-------------------------------------------
     //! Write down the electrostatic potential
     //-------------------------------------------
-    int precision = 9;
     int is = -1;
     double ef_tmp = 0.0;
     int out_fermi = 0;

source/source_io/module_chgpot/write_elecstat_pot.h

@@ -19,6 +19,8 @@ namespace ModuleIO
 /// @param chr
 /// @param ucell_
 /// @param v_eff_fixed
+/// @param solvent: for solvation model
+/// #param precision: output precision
 void write_elecstat_pot(
 #ifdef __MPI
     const int& bz,
@@ -30,7 +32,8 @@ void write_elecstat_pot(
     const Charge* const chr,
     const UnitCell* ucell_,
     const double* v_eff_fixed,
-    const surchem& solvent);
+    const surchem& solvent,
+    const int precision);
 
 } // namespace ModuleIO
 

source/source_io/module_ctrl/ctrl_output_fp.cpp

@@ -154,7 +154,8 @@ void ctrl_output_fp(UnitCell& ucell,
             &chr,
             &(ucell),
             pelec->pot->get_fixed_v(),
-            solvent);
+            solvent,
+	    PARAM.inp.out_pot[1]);
     }
 
     // 6) write ELF

…/03_NAO_multik/scf_out_dmr_dmk_pot/INPUT tests/03_NAO_multik/scf_out_dmr_dmk/INPUTtests/03_NAO_multik/scf_out_dmr_dmk_pot/INPUT renamed to tests/03_NAO_multik/scf_out_dmr_dmk/INPUT tests/03_NAO_multik/scf_out_dmr_dmk_pot/INPUT renamed to tests/03_NAO_multik/scf_out_dmr_dmk/INPUT

@@ -20,7 +20,6 @@ basis_type	lcao
 smearing_method	gauss
 smearing_sigma	0.002
 
-# output dmr, dmk, and pot
+# output dmr, dmk
 out_dmr 1 5
 out_dmk 1 3
-out_pot 2 5