sc::shellpaircints(3)
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
- Generated automatically by Doxygen for MPQC from the source code.