Scine::Swoose
2.1.0
This is the SCINE module Swoose.
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Tests the refinement of bond orders by quantum-chemical data. More...
#include <BondOrderRefinementTest.cpp>
Public Member Functions | |
void | SetUp () override |
Public Attributes | |
std::string | connFile = "Connectivity.dat" |
Tests the refinement of bond orders by quantum-chemical data.