Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Functions
VuvB.cpp File Reference
#include "VuvB.h"
Include dependency graph for VuvB.cpp:

Functions

template void Scine::Sparrow::nddo::multipole::VuvB::calculate< Utils::DerivativeOrder::Zero > (const Eigen::Vector3d &, const ChargeSeparationParameter &, const KlopmanParameter &, double, double)
 
template void Scine::Sparrow::nddo::multipole::VuvB::calculate< Utils::DerivativeOrder::One > (const Eigen::Vector3d &, const ChargeSeparationParameter &, const KlopmanParameter &, double, double)
 
template void Scine::Sparrow::nddo::multipole::VuvB::calculate< Utils::DerivativeOrder::Two > (const Eigen::Vector3d &, const ChargeSeparationParameter &, const KlopmanParameter &, double, double)
 

Detailed Description

Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.