13 virtual const std::string
getName();
26 bool quantize =
false,
int occ = -1);
this file provide Kernel class
this class implements calculation/utils for electronic DOFs:
static kids_complex * U
dynamics variables for electronic DOFs
static kids_complex * rho_dual_init
electronic density
static kids_complex * OpA
static kids_complex * TrK1A
static int ker_from_rho(kids_complex *ker, kids_complex *rho, kids_real xi, kids_real gamma, int fdim, bool quantize=false, int occ=-1)
convert c (electonic amplititude) to kernel (affine map of the density)
static kids_complex * w_DD
Status & executeKernel_impl(Status &stat)
Virtual function to execute the kernel implementation.
static kids_complex * ww_A_init
static kids_complex * rho_dual
static int * occ_nuc
weighting density for nuclear force
static kids_complex * w_PP
static kids_complex * w_AA
static kids_complex * K1QA
Simplex Quantization.
static kids_complex * ww_D_init
static kids_real * T_init
static kids_complex * rho_ele
static kids_complex * rho_nuc_init
static kids_complex * TrK2B
static kids_complex * K1QD
Simplex Quantization.
void setInputParam_impl(std::shared_ptr< Param > &PM)
Virtual function to set input parameters for the kernel implementation.
static kids_complex * rho_nuc
Status & initializeKernel_impl(Status &stat)
Virtual function to initialize the kernel implementation.
void setInputDataSet_impl(std::shared_ptr< DataSet > &DS)
Virtual function to set input data set for the kernel implementation.
static kids_complex * K2QA
Heaviside Quantization.
static kids_complex * K2QD
Heaviside Quantization.
static int ker_from_c(kids_complex *ker, kids_complex *c, kids_real xi, kids_real gamma, int fdim)
convert c (electonic amplititude) to kernel (affine map of the density)
static kids_complex * ww_D
static kids_complex * w_AD
static kids_complex * c_init
electronic vector
static kids_complex * K2
partial version of K2
static kids_complex * ww_A
static int occ0
read parameters
static kids_complex * K1DD
static kids_complex * K2DD
virtual const std::string getName()
Get the name of the kernel.
static kids_complex * K1DA
static kids_complex * wz_A
static kids_complex * rho_ele_init
electronic density
static kids_complex * K1
partial version of K1
static kids_complex * K0
partial version of K0
static kids_complex * K2DA
static kids_complex * OpB
static kids_complex * w_CC
static kids_complex * w_CP
static kids_complex * w
kernels for time correlation function
virtual int getType() const
Get the type of the kernel.
static kids_complex * wz_D
this class provides the container and implementation of algorithms
< 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.