[pre-commit.ci lite] apply automatic fixes

Author: pre-commit-ci-lite[bot]

source/module_relax/relax_old/ions_move_basic.cpp

@@ -29,8 +29,8 @@ void Ions_Move_Basic::setup_gradient(const UnitCell &ucell, const ModuleBase::ma
     ModuleBase::TITLE("Ions_Move_Basic", "setup_gradient");
 
     assert(ucell.ntype > 0);
-    assert(pos != NULL);
-    assert(grad != NULL);
+    assert(pos != nullptr);
+    assert(grad != nullptr);
     assert(dim == 3 * ucell.nat);
 
     ModuleBase::GlobalFunc::ZEROS(pos, dim);
@@ -65,8 +65,8 @@ void Ions_Move_Basic::move_atoms(UnitCell &ucell, double *move, double *pos)
 {
     ModuleBase::TITLE("Ions_Move_Basic", "move_atoms");
 
-    assert(move != NULL);
-    assert(pos != NULL);
+    assert(move != nullptr);
+    assert(pos != nullptr);
 
     //------------------------
     // for test only
@@ -95,8 +95,9 @@ void Ions_Move_Basic::move_atoms(UnitCell &ucell, double *move, double *pos)
     const double move_threshold = 1.0e-10;
     const int total_freedom = ucell.nat * 3;
 
-    if (ModuleSymmetry::Symmetry::symm_flag && ucell.symm.all_mbl && ucell.symm.nrotk > 0)
+    if (ModuleSymmetry::Symmetry::symm_flag && ucell.symm.all_mbl && ucell.symm.nrotk > 0) {
         ucell.symm.symmetrize_vec3_nat(move);
+}
 
     for (int i = 0; i < total_freedom; i++)
     {

source/module_relax/relax_old/ions_move_sd.cpp

@@ -20,7 +20,7 @@ Ions_Move_SD::~Ions_Move_SD()
     delete[] pos_saved;
 }
 
-void Ions_Move_SD::allocate(void)
+void Ions_Move_SD::allocate()
 {
     ModuleBase::TITLE("Ions_Move_SD", "allocate");
     assert(dim > 0);
@@ -37,8 +37,8 @@ void Ions_Move_SD::start(UnitCell& ucell, const ModuleBase::matrix& force, const
     ModuleBase::TITLE("Ions_Move_SD", "start");
 
     assert(dim > 0);
-    assert(grad_saved != 0);
-    assert(pos_saved != 0);
+    assert(grad_saved != nullptr);
+    assert(pos_saved != nullptr);
 
     std::vector<double> pos(dim);
     std::vector<double> grad(dim);
@@ -49,7 +49,7 @@ void Ions_Move_SD::start(UnitCell& ucell, const ModuleBase::matrix& force, const
 
     // 1: ediff = 0
     // 0: ediff < 0
-    bool judgement = 0;
+    bool judgement = false;
     setup_etot(etot_in, judgement);
     setup_gradient(ucell, force, pos.data(), grad.data());
 
@@ -58,8 +58,9 @@ void Ions_Move_SD::start(UnitCell& ucell, const ModuleBase::matrix& force, const
         printf("in cheak_converged");
         printf("pos[0]: %f\n", pos[0]);
         energy_saved = etot_in;
-        for (int i = 0; i < dim; i++)
+        for (int i = 0; i < dim; i++) {
             pos_saved[i] = pos[i];
+}
         for (int i = 0; i < dim; i++)
         {
             grad_saved[i] = grad[i];
@@ -93,7 +94,7 @@ void Ions_Move_SD::start(UnitCell& ucell, const ModuleBase::matrix& force, const
     return;
 }
 
-void Ions_Move_SD::cal_tradius_sd(void) const
+void Ions_Move_SD::cal_tradius_sd() const
 {
     static int accepted_number = 0;