MPQC
3.0.0-alpha
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Describes one-body operators. More...
#include <chemistry/qc/basis/operator.h>
Public Types | |
enum | type { gamma = -1, T = 0, V = 1, h = 2, J = 3, K = 4, F = 5, hJ = 6, mu_x = 7, mu_y = 8, mu_z = 9, q_xx = 10, q_xy = 11, q_xz = 12, q_yy = 13, q_yz = 14, q_zz = 15, pVp = 16, pxVp_x = 17, pxVp_y = 18, pxVp_z = 19, p4 = 20, Nabla_x = 21, Nabla_y = 22, Nabla_z = 23, iL_x = 24, iL_y = 25, iL_z = 26, phi = 27, dphi_x = 28, dphi_y = 29, dphi_z = 30, ddphi_xx = 31, ddphi_xy = 32, ddphi_xz = 33, ddphi_yy = 34, ddphi_yz = 35, ddphi_zz = 36, S = 37, invalid = 38 } |
Types of one-body operators, includes various context-dependent "projectors", such as 1-RDM, etc. More... | |
Static Public Member Functions | |
static Ref< OneBodyOperDescr > | descr (OneBodyOper::type t) |
Returns a descriptor for integral type t. | |
static std::string | to_string (type t) |
converts type to string | |
static type | to_type (const std::string &key) |
converts string representation to type | |
Static Public Attributes | |
static int | max_ntypes |
The max number of such types. | |
Describes one-body operators.
OneBodyOper lists one-body operators, and provides runtime support for examining their properties, such as conversion to string and back, and construction of OneBodyOperDescr.
Types of one-body operators, includes various context-dependent "projectors", such as 1-RDM, etc.
"True" operators have type >= 0.