1#ifndef CONV_COULOMB_POT_K_HPP
2#define CONV_COULOMB_POT_K_HPP
12 template<
typename T >
14 const std::vector<T> & orbs,
16 const double rmesh_times)
18 std::vector<T> orbs_ccp(orbs.size());
19 for(
size_t i=0; i!=orbs.size(); ++i )
20 orbs_ccp[i] =
cal_orbs_ccp(orbs[i], coulomb_param, rmesh_times);
24 template<
typename T >
26 const std::vector<T> & orbs,
27 const double psi_threshold)
29 double rmesh_proportion=0;
30 for(
const auto &orb : orbs )
32 return rmesh_proportion;
37 std::vector<T>
operator*(
const T &s,
const std::vector<T> &v_in)
39 std::vector<T> v(v_in.size());
40 for(std::size_t i=0; i<v.size(); ++i)
41 { v[i] = s * v_in[i]; }
45 std::vector<T>
operator+ (
const std::vector<T> &v1,
const std::vector<T> &v2)
47 assert(v1.size()==v2.size());
48 std::vector<T> v(v1.size());
49 for(std::size_t i=0; i<v.size(); ++i)
50 { v[i] = v1[i] + v2[i]; }
#define T
Definition exp.cpp:237
Definition conv_coulomb_pot_k.cpp:8
std::vector< T > operator*(const T &s, const std::vector< T > &v_in)
Definition conv_coulomb_pot_k.hpp:37
Coulomb_Type
Definition conv_coulomb_pot_k.h:10
double get_rmesh_proportion(const Numerical_Orbital_Lm &orbs, const double psi_threshold)
Definition conv_coulomb_pot_k.cpp:151
T cal_orbs_ccp(const T &orbs, const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &coulomb_param, const double rmesh_times)
std::vector< T > operator+(const std::vector< T > &v1, const std::vector< T > &v2)
Definition conv_coulomb_pot_k.hpp:45