ERKALE
ERKALE - DFT from Hel
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opthelper_t Struct Reference
Public Attributes
std::vector<
atom_t
>
atoms
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:
src/geometry.cpp
Generated on Sat Nov 26 2016 21:21:53 for ERKALE by
1.8.5