QNANO
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Structure to store values for the potational on each atom of a given structure. More...
#include <Potential.h>
Public Member Functions | |
void | read (const std::string &filename) |
void | print (const std::string &filename) const |
void | check_size (int compare_size) const |
void | read_check (const std::string &filename, int compare_size) |
void | add (const Potential &other) |
Potential (const std::string &filename) | |
Potential (const std::string &filename, int compare_size) | |
Public Member Functions inherited from List_Class< double > | |
double & | operator[] (size_t i) |
const double & | operator[] (size_t i) const |
size_t | size () const |
virtual void | resize (size_t i) |
virtual void | reserve (size_t i) |
virtual void | push_back (const double &value) |
virtual void | clear () |
List_Class< double > & | operator= (const std::vector< double > &Tvec) |
int | find (doubleelement) const |
int | find_check (doubleelement) const |
void | add_if_new (doubleelement) |
void | add_if_new_check (doubleelement) |
Additional Inherited Members | |
Public Attributes inherited from List_Class< double > | |
std::vector< double > | list |
Structure to store values for the potational on each atom of a given structure.