Kernel_Elec_NAD.h File Reference

this file provides Kernel_Elec_NAD class for electronic dynamics and properties in nonadiabatic trajectory dynamics. More...

#include "kids/Kernel.h"
#include "kids/Kernel_Elec.h"
#include "kids/Policy.h"

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Classes
class	PROJECT_NS::Kernel_Elec_NAD
	initialization kernel for electonic DOFs in NAD More...

Namespaces
namespace	PROJECT_NS
	< http://warp.povusers.org/FunctionParser/fparser.html

Functions
	PROJECT_NS::DEFINE_POLICY (NADPolicy, EHR, BOSH, CVSH, BOSD, CVSD)

Detailed Description

this file provides Kernel_Elec_NAD class for electronic dynamics and properties in nonadiabatic trajectory dynamics.

Author

Xin He

Date

2024-03

Version

1.0

Copyright

GNU Lesser General Public License (LGPL)

         Copyright (c) 2024 Xin He, Liu-Group

This software is a product of Xin's PhD research conducted by Professor Liu's Group at the College of Chemistry and Molecular Engineering, Peking University. All rights are reserved by Peking University. You should have received a copy of the GNU Lesser General Public License along with this software. If not, see https://www.gnu.org/licenses/lgpl-3.0.en.html

revision:

Date	Description
2024-04-02	Initial version.

Definition in file Kernel_Elec_NAD.h.