Provided by: libsc-doc_2.3.1-21_all
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 &) Additional Inherited Members
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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