Definition at line 188 of file xc.F90.
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| integer, public | family |
| | the families present More...
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| integer, public | flags |
| | flags of the xc functional More...
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| integer, public | kernel_family |
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| type(xc_functional_t), dimension(2, 2), public | functional |
| | (FUNC_X,:) => exchange, (FUNC_C,:) => correlation (:,1) => unpolarized, (:,2) => polarized More...
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| type(xc_functional_t), dimension(2, 2), public | kernel |
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| type(xc_cam_t), public | cam |
| | Coulomb-attenuating method parameters for hybrid functionals. More...
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| type(xc_lrc_t), public | lrc |
| | Long-range corrected kernel. More...
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◆ compute_exchange()
| procedure xc_oct_m::xc_t::compute_exchange |
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private |
◆ family
| integer, public xc_oct_m::xc_t::family |
the families present
Definition at line 190 of file xc.F90.
◆ flags
| integer, public xc_oct_m::xc_t::flags |
flags of the xc functional
Definition at line 191 of file xc.F90.
◆ kernel_family
| integer, public xc_oct_m::xc_t::kernel_family |
◆ functional
(FUNC_X,:) => exchange, (FUNC_C,:) => correlation (:,1) => unpolarized, (:,2) => polarized
Definition at line 193 of file xc.F90.
◆ kernel
◆ cam
| type(xc_cam_t), public xc_oct_m::xc_t::cam |
Coulomb-attenuating method parameters for hybrid functionals.
Definition at line 197 of file xc.F90.
◆ lrc
| type(xc_lrc_t), public xc_oct_m::xc_t::lrc |
Long-range corrected kernel.
Definition at line 198 of file xc.F90.
◆ use_gi_ked
| logical xc_oct_m::xc_t::use_gi_ked |
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should we use the gauge-independent kinetic energy density?
Definition at line 200 of file xc.F90.
◆ xc_density_correction
| integer xc_oct_m::xc_t::xc_density_correction |
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◆ xcd_optimize_cutoff
| logical xc_oct_m::xc_t::xcd_optimize_cutoff |
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◆ xcd_ncutoff
| real(real64) xc_oct_m::xc_t::xcd_ncutoff |
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◆ xcd_minimum
| logical xc_oct_m::xc_t::xcd_minimum |
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◆ xcd_normalize
| logical xc_oct_m::xc_t::xcd_normalize |
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◆ parallel
| logical xc_oct_m::xc_t::parallel |
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◆ quantities
The documentation for this type was generated from the following file: