sc::ShellPairCints
ShellPairCints provides all primitive pair data for a given shell pair.
- Provided by: libsc-doc (Version: 2.3.1-21)
- Source: mpqc
- Report a bug
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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