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Octopus
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Data Types | |
type | xc_cam_t |
Coulomb-attenuating method parameters, used in the partitioning of the Coulomb potential into a short-range term and a long-range term. More... | |
Functions/Subroutines | |
pure logical function | xc_cam_is_null (this) |
Are all attributes of a xc_cam_t instance set to their default (null) values. More... | |
subroutine | xc_cam_print (this, namespace, msg) |
Print attribute values. More... | |
pure real(real64) function, dimension(3) | xc_cam_as_array (this) |
@ brief Return attributes as an array of reals. LibXC interface expects an array of reals, rather than a type. More... | |
Variables | |
type(xc_cam_t), parameter, public | cam_null = xc_cam_t(0.0_real64, 0.0_real64, 0.0_real64) |
All CAM parameters set to zero. More... | |
type(xc_cam_t), parameter, public | cam_exact_exchange = xc_cam_t(0.0_real64, 1.0_real64, 0.0_real64) |
Use only Hartree Fock exact exchange. More... | |
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private |
Are all attributes of a xc_cam_t instance set to their default (null) values.
Definition at line 158 of file xc_cam.F90.
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private |
Print attribute values.
Definition at line 168 of file xc_cam.F90.
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private |
@ brief Return attributes as an array of reals. LibXC interface expects an array of reals, rather than a type.
Parameters are defined in the order expected by libXC: alpha, beta, omega.
In LibXC, see for example, xc_f03_func_set_ext_params
, defined by libxc_master.F90
following preprocessing.
Definition at line 202 of file xc_cam.F90.
type(xc_cam_t), parameter, public xc_cam_oct_m::cam_null = xc_cam_t(0.0_real64, 0.0_real64, 0.0_real64) |
All CAM parameters set to zero.
Definition at line 150 of file xc_cam.F90.
type(xc_cam_t), parameter, public xc_cam_oct_m::cam_exact_exchange = xc_cam_t(0.0_real64, 1.0_real64, 0.0_real64) |
Use only Hartree Fock exact exchange.
Definition at line 153 of file xc_cam.F90.