26#ifndef Kernel_Conserve_H
27#define Kernel_Conserve_H
38 virtual const std::string
getName();
this file provide Kernel class
This class implements a process for energy conservation.
virtual void setInputParam_impl(std::shared_ptr< Param > &PM)
Virtual function to set input parameters for the kernel implementation.
virtual int getType() const
Get the type of the kernel.
virtual const std::string getName()
Get the name of the kernel.
kids_real * Etot
total energy
virtual void setInputDataSet_impl(std::shared_ptr< DataSet > &DS)
Virtual function to set input data set for the kernel implementation.
virtual Status & executeKernel_impl(Status &stat)
Virtual function to execute the kernel implementation.
kids_real * Ekin
kinematic energy
kids_real * p
nuclear momemtum
kids_real * E
adiabatic energies
kids_bint * last_attempt_ptr
kids_real * vpes
potential energy (only nuclear part)
kids_real * Epot
potential energy
kids_real * Etot_init
total energy at initial time
kids_real * Etot_prev
total energy in previous step
kids_real * m
nuclear mass
virtual Status & initializeKernel_impl(Status &stat)
Virtual function to initialize the kernel implementation.
this class provides the container and implementation of algorithms
< http://warp.povusers.org/FunctionParser/fparser.html
double kids_real
Alias for real number type.
int kids_bint
Alias for integer type.