Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::Tests::QmmmTest Class Reference

Tests the functionality of some helper functions which are applied in the QM/MM calculator. More...

#include <QmmmTest.cpp>

Inheritance diagram for Scine::Tests::QmmmTest:
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Collaboration diagram for Scine::Tests::QmmmTest:
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Public Member Functions

void SetUp () override
 

Public Attributes

QmmmCalculator calculator
 
Utils::AtomCollection testStructure
 
std::vector< int > qmAtoms
 

Static Public Attributes

static constexpr const char * qmRegionXyzFile = "created_qm_region_for_test.xyz"
 

Detailed Description

Tests the functionality of some helper functions which are applied in the QM/MM calculator.

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