ERKALE
ERKALE - DFT from Hel
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opthelper_t Struct Reference

Public Attributes

std::vector< atom_tatoms
 
BasisSetLibrary baslib
 
Settings set
 
std::vector< size_t > dofidx
 
bool numgrad
 
double step
 
int npoints
 

The documentation for this struct was generated from the following file: