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| class(soft_coulomb_t) function, pointer | allelectron_oct_m::soft_coulomb_constructor (label, index) |
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| class(full_anc_t) function, pointer | allelectron_oct_m::full_anc_constructor (label, index, a) |
| | Constructor for full_anc_t. More...
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| class(full_delta_t) function, pointer | allelectron_oct_m::full_delta_constructor (label, index, sigma) |
| | Constructor for full_delta_t. More...
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| class(full_gaussian_t) function, pointer | allelectron_oct_m::full_gaussian_constructor (label, index, sigma) |
| | Constructor for full_gaussian_t. More...
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| real(real64) pure function | allelectron_oct_m::allelectron_sigma (spec) |
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| pure subroutine | allelectron_oct_m::allelectron_set_sigma (spec, sigma) |
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| real(real64) pure function | allelectron_oct_m::allelectron_omega (spec) |
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| real(real64) pure function | allelectron_oct_m::full_anc_a (spec) |
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| real(real64) pure function | allelectron_oct_m::full_anc_b (spec) |
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| pure subroutine | allelectron_oct_m::full_anc_set_a (spec, a) |
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| real(real64) pure function | allelectron_oct_m::soft_coulomb_softening (spec) |
| | Get the softening parameter. More...
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| pure subroutine | allelectron_oct_m::soft_coulomb_set_softening (spec, soft) |
| | Set the softening parameter. More...
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| subroutine | allelectron_oct_m::allelectron_iwf_fix_qn (spec, namespace, nspin, dim) |
| | set up quantum numbers of orbitals More...
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| real(real64) function | allelectron_oct_m::allelectron_get_iwf_radius (spec, ii, is, threshold) |
| | Return radius outside which orbital is less than threshold value 0.001. More...
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| logical pure function | allelectron_oct_m::allelectron_is_local (spec) |
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| subroutine | allelectron_oct_m::allelectron_init_potential (this, namespace, grid_cutoff, filter) |
| | This routine performs some operations on the pseudopotential functions (filtering, etc), some of which depend on the grid cutoff value. More...
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| subroutine | func_anc (xin, ff, jacobian) |
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| subroutine | allelectron_oct_m::allelectron_debug (spec, dir, namespace, gmax) |
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| subroutine | allelectron_oct_m::allelectron_build (spec, namespace, ispin, dim, print_info) |
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| logical pure function | allelectron_oct_m::allelectron_is_full (this) |
| | Is the species an all-electron derived class or not. More...
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| logical pure function | allelectron_oct_m::allelectron_represents_real_atom (spec) |
| | Is the species representing an atomic species or not. More...
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1.9.4