sc::TwoBodyOperSet Struct Reference

Known two-body operator sets. More...

#include <chemistry/qc/basis/operator.h>

Public Types
enum	type {   ERI, R12, G12, G12NC,   G12DKH, R12_0_G12, R12_m1_G12, G12_T1_G12,   DeltaFunction }

Static Public Member Functions
static std::string	to_string (type t)
	converts type to string representation
static type	to_type (const std::string &key)
	converts string representation to type
static type	to_type (TwoBodyOper::type oper)
	maps TwoBodyOper::type to type More...

Detailed Description

Known two-body operator sets.

Member Enumeration Documentation

type

enum sc::TwoBodyOperSet::type

Enumerator
ERI	{eri}
R12	{eri, r12, r12t1, r12t2}
G12	{eri, r12_0_g12, r12_m1_g12, t1g12, t2g12, g12t1g12}
G12NC	{eri, r12_0_g12, r12_m1_g12, g12t1g12, anti_g12g12}
G12DKH	{g12p4g12_m_g12t1g12t1}
R12_0_G12	{r12_0_g12}
R12_m1_G12	{r12_m1_g12}
G12_T1_G12	{g12t1g12}
DeltaFunction	{delta}

Member Function Documentation

to_type()

static type sc::TwoBodyOperSet::to_type ( TwoBodyOper::type  oper )

static

maps TwoBodyOper::type to type

Note

only succeeds if the map is unequivocal

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The documentation for this struct was generated from the following file:

• src/lib/chemistry/qc/basis/operator.h