Fix: add warning_quit if some parameter is repeated in INPUT (deepmod…

…eling#4639) * Fix: add warning_quit if some parameters ar iseated in INPUT * delete repeated parameters in INPUT * delete repeated INPUT
maki49 · Jul 12, 2024 · 5a5ff7f · 5a5ff7f
1 parent edc877f
commit 5a5ff7f
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Showing 4 changed files with 6 additions and 6 deletions.
diff --git a/source/module_io/read_input.cpp b/source/module_io/read_input.cpp
@@ -234,8 +234,13 @@ void ReadInput::read_txt_input(Parameter& param, const std::string& filename)
         {
             Input_Item* p_item = &(it->second);
             this->readvalue_items.push_back(p_item);
+            if(p_item->is_read())
+            {
+                std::string warningstr = "The parameter " + p_item->label + " has been read twice.";
+                ModuleBase::WARNING_QUIT("ReadInput", warningstr);
+            }
             // qianrui delete '/' 2024-07-10, because path has '/' head.
-            read_information(ifs, it->second.str_values, "#!");
+            read_information(ifs, p_item->str_values, "#!");
         }
         else
         {

diff --git a/source/module_io/test/support/INPUT b/source/module_io/test/support/INPUT
@@ -18,7 +18,6 @@ nspin                          1 #1: single spin; 2: up and down spin; 4: noncol
 kspacing                       0 #unit in 1/bohr, should be > 0, default is 0 which means read KPT file
 min_dist_coef                  0.2 #factor related to the allowed minimum distance between two atoms
 nbands                         8 #number of bands
-nbands_sto                     256 #number of stochastic bands
 nbands_istate                  5 #number of bands around Fermi level for get_pchg calulation
 symmetry                       1 #the control of symmetry
 init_vel                       False #read velocity from STRU or not

diff --git a/tests/integrate/108_PW_RE_PINT_RKS/INPUT b/tests/integrate/108_PW_RE_PINT_RKS/INPUT
@@ -5,7 +5,6 @@ suffix		    autotest
 relax_nmax	    100
 force_thr_ev        0.01
 stress_thr          1
-out_stru            1
 out_level           ie
 pseudo_rcut         10.0
 pseudo_mesh         1

diff --git a/tests/integrate/601_NO_TDDFT_vel_Si/INPUT b/tests/integrate/601_NO_TDDFT_vel_Si/INPUT
@@ -9,14 +9,11 @@ scf_nmax        50
 scf_thr         1e-6
 
 ks_solver		scalapack_gvx
-basis_type		lcao
 gamma_only		0
-md_nstep		2
 
 mixing_type		broyden
 mixing_beta		0.7
 mixing_gg0      0.0
-scf_thr			1.0e-6
 
 calculation     md
 esolver_type    tddft