sc_ShellPairCints (3) - Linux Manuals

NAME

sc::ShellPairCints -

ShellPairCints provides all primitive pair data for a given shell pair.

SYNOPSIS

#include <shellpairs.h>

Inherits sc::SavableState.

Public Member Functions

ShellPairCints (Ref< PrimPairsCints > &)

ShellPairCints (StateIn &)

void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
void init (const int, const int)

prim_pair_t * prim_pair (int p1, int p2) const

double prim_pair_P (int p1, int p2, int xyz) const

double prim_pair_gamma (int p1, int p2) const

double prim_pair_ovlp (int p1, int p2) const

Friends

void init_shell_pair (ShellPairsCints &)

Detailed Description

ShellPairCints provides all primitive pair data for a given shell pair.

Member Function Documentation

void sc::ShellPairCints::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::SavableState.

Author

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