| sc::ShellPairsCints(3) | MPQC | sc::ShellPairsCints(3) |
sc::ShellPairsCints - ShellPairsCints contains primitive pair data for all shell pairs.
#include <shellpairs.h>
Inherits sc::SavableState.
ShellPairsCints (const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &)
ShellPairsCints (const Ref< ShellPairsCints >
&)
ShellPairsCints (const Ref< KeyVal > &)
ShellPairsCints (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. ShellPairCints *
shell_pair (int si, int sj) const
void init_shell_pair (ShellPairsCints &)
ShellPairsCints contains primitive pair data for all shell pairs.
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.
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| Fri Dec 2 2022 | Version 2.3.1 |