add change

Author: A-006

.gitignore

@@ -23,8 +23,4 @@ __pycache__
 abacus.json
 *.npy
 toolchain/install/
-toolchain/abacus_env.sh
-*.sh
-*.pyc
-*.txt
-*.py
+toolchain/abacus_env.sh

source/module_basis/module_pw/pw_gatherscatter.h

@@ -98,8 +98,7 @@ void PW_Basis::gatherp_scatters(std::complex<T>* in, std::complex<T>* out) const
 template <typename T>
 void PW_Basis::gathers_scatterp(std::complex<T>* in, std::complex<T>* out) const
 {
-    ModuleBase::timer::tick(this->classname, "gathers_scatterp");
-    
+    // ModuleBase::timer::tick(this->classname, "gathers_scatterp");
     if(this->poolnproc == 1) //In this case nrxx=fftnx*fftny*nz, nst = nstot, 
     {
 #ifdef _OPENMP
@@ -183,7 +182,7 @@ void PW_Basis::gathers_scatterp(std::complex<T>* in, std::complex<T>* out) const
 		}
     }
 #endif
-    ModuleBase::timer::tick(this->classname, "gathers_scatterp");
+    // ModuleBase::timer::tick(this->classname, "gathers_scatterp");
     return;
 }
 

source/module_esolver/esolver_fp.cpp

@@ -32,7 +32,7 @@ ESolver_FP::~ESolver_FP()
         delete this->pw_rho;
         this->pw_rho_flag = false;
     }
-    if ( PARAM.globalv.double_grid)
+    if (PARAM.globalv.double_grid)
     {
         delete pw_rhod;
     }

source/module_hamilt_pw/hamilt_pwdft/test/CMakeLists.txt

@@ -2,7 +2,6 @@ remove_definitions(-D__DEEPKS)
 remove_definitions(-D__CUDA)
 remove_definitions(-D__ROCM)
 remove_definitions(-D__EXX)
-remove_definitions(-DUSE_PAW)
 
 AddTest(
   TARGET pwdft_soc

tests/integrate/102_PW_CG/README

@@ -1,7 +1 @@
-This test for:
-*Si-diamond
-*just gamma point
-*old upf pseudopotential
-*smearing_method default
-*ks_solver cg
-*precison    double
+This test is for silicon diamond structure using gamma point, smearing method,CG solver, double precision