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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
hcontainer_funcs.h File Reference
#include "source_lcao/module_hcontainer/hcontainer.h"
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Namespaces

namespace  hamilt
 

Functions

template<typename TR >
void hamilt::folding_HR (const hamilt::HContainer< TR > &hR, std::complex< double > *hk, const ModuleBase::Vector3< double > &kvec_d_in, const int hk_ld, const int hk_type)
 calculate the Hk matrix with specific k vector
 
void hamilt::folding_HR (const hamilt::HContainer< double > &hR, double *hk, const ModuleBase::Vector3< double > &kvec_d_in, const int hk_ld, const int hk_type)
 
template<typename TR >
void hamilt::transferSerial2Parallels (const hamilt::HContainer< TR > &hR_s, hamilt::HContainer< TR > *hR_p, const int serial_rank)
 transfer the HContainer from serial object to parallel object
 
template<typename TR >
void hamilt::transferParallels2Serial (const hamilt::HContainer< TR > &hR_p, hamilt::HContainer< TR > *hR_s, const int serial_rank)
 transfer the HContainer from parallel object to serial object
 
template<typename TR >
void hamilt::transferSerials2Parallels (const hamilt::HContainer< TR > &hR_s, hamilt::HContainer< TR > *hR_p)
 transfer the HContainer from all serial objects to all parallel objects
 
template<typename TR >
void hamilt::transferParallels2Serials (const hamilt::HContainer< TR > &hR_p, hamilt::HContainer< TR > *hR_s)
 transfer the HContainer from all serial objects to all parallel objects
 
template<typename TR >
void hamilt::gatherParallels (const hamilt::HContainer< TR > &hR_p, hamilt::HContainer< TR > *hR_s, const int serial_rank)
 gather the HContainer from all parallel objects to target serial object the serial object should be empty before gather