1 #ifndef QNANO_NEW_STRAIN_TENSOR_CALCULATOR_DEFINED_H 2 #define QNANO_NEW_STRAIN_TENSOR_CALCULATOR_DEFINED_H 4 #include "tools/Tensor2.h" 5 #include "structure/Sample.h" 19 virtual void resize(
size_t i){
21 atlist_welldefined.resize(i);
24 list.push_back(value);
25 atlist_welldefined.push_back(atom);
29 atlist_welldefined.clear();
31 virtual void reserve(
size_t i){
33 atlist_welldefined.reserve(i);
40 void setup(
const Sample &sample);
Definition: Parameter_Map.h:12
Definition: Atom_List.h:9
Definition: List_Class.h:8
Class to store a rank-2 (complex) tensor, i.e., a matrix:
Definition: Tensor2.h:10
Definition: Strain_Tensor_List.h:15