42 case RepresentationPolicy::Diabatic: {
49 case RepresentationPolicy::Adiabatic: {
#define ARRAY_MATMUL3_TRANS2(_A, _B, _C, _D, _n1, _n2, _n0, _n3)
#define ARRAY_MATMUL(_A, _B, _C, _n1, _n2, _n3)
static RepresentationPolicy::_type ele_repr_type
representation for electronic dynamics
kids_real * E
Eigenvalue for diabatic V.
kids_real * T
Eigenvector for diabatic V.
kids_complex * Udt
short time propagator
kids_complex * R
Eigenvector for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.
virtual Status & executeKernel_impl(Status &stat)
Virtual function to execute the kernel implementation.
kids_complex * U
full propagator along classical path approximation (CPA)
virtual const std::string getName()
Get the name of the kernel.
virtual void setInputDataSet_impl(std::shared_ptr< DataSet > &DS)
Virtual function to set input data set for the kernel implementation.
kids_real * L
Eigenvalue for adiabatic effective Hamiltonian Heff = Eδ - id*P/M.
kids_complex * invexpidiagdt
temporary variables
virtual int getType() const
Get the type of the kernel.
provide utils for debugging the code
VARIABLE< kids_complex > invexpidiagdt
VARIABLE< kids_complex > U
VARIABLE< kids_complex > Udt
VARIABLE< kids_bint > frez
VARIABLE< kids_bint > succ
VARIABLE< kids_complex > R
std::size_t P
Number of parallel trajectories (swarms of trajectories) in each Monte Carlo run.
std::size_t F
Number of electronic degrees of freedom.
std::size_t FF
Product of F and F (F * F).
< http://warp.povusers.org/FunctionParser/fparser.html
double kids_real
Alias for real number type.
std::complex< double > kids_complex
Alias for complex number type.
constexpr std::complex< real_precision > im(0.0L, 1.0L)
Imaginary Unit.
constexpr uint32_t hash(const char *str)
declaration of variables used in the program.