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subroutine | nonlocal_pseudopotential_oct_m::nonlocal_pseudopotential_init (this) |
| initialize the nonlocal_pseudopotential_t object More...
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subroutine | nonlocal_pseudopotential_oct_m::nonlocal_pseudopotential_destroy_proj (this) |
| Destroy the data of nonlocal_pseudopotential_t. More...
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subroutine | nonlocal_pseudopotential_oct_m::nonlocal_pseudopotential_build_proj (this, space, mesh, epot) |
| build the projectors for the application of pseudo-potentials More...
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subroutine | build_accel () |
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logical pure function | nonlocal_pseudopotential_oct_m::nonlocal_pseudopotential_self_overlap (this) |
| Returns .true. if the Hamiltonian contains projectors, which overlap with themself. More...
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subroutine | nonlocal_pseudopotential_oct_m::dnonlocal_pseudopotential_start (this, mesh, std, spiral_bnd, psib, projection, async) |
| Start application of non-local potentials (stored in the Hamiltonian) to the wave functions. More...
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subroutine | nonlocal_pseudopotential_oct_m::dnonlocal_pseudopotential_finish (this, mesh, spiral_bnd, std, projection, vpsib) |
| finish the application of non-local potentials. More...
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subroutine | finish_accel () |
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subroutine | nonlocal_pseudopotential_oct_m::dnonlocal_pseudopotential_force (this, mesh, st, spiral_bnd, iqn, ndim, psi1b, psi2b, force) |
| calculate contribution to forces, from non-local potentials More...
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subroutine | nonlocal_pseudopotential_oct_m::dnonlocal_pseudopotential_position_commutator (this, mesh, std, spiral_bnd, psib, commpsib, async) |
| apply the commutator between the non-local potential and the position to the wave functions. More...
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subroutine | dcommutator_accel () |
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subroutine | nonlocal_pseudopotential_oct_m::dnonlocal_pseudopotential_r_vnlocal (this, mesh, std, spiral_bnd, psib, commpsib) |
| Accumulates to commpsib the result of x V_{nl} | psib > More...
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subroutine | nonlocal_pseudopotential_oct_m::znonlocal_pseudopotential_start (this, mesh, std, spiral_bnd, psib, projection, async) |
| Start application of non-local potentials (stored in the Hamiltonian) to the wave functions. More...
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subroutine | nonlocal_pseudopotential_oct_m::znonlocal_pseudopotential_finish (this, mesh, spiral_bnd, std, projection, vpsib) |
| finish the application of non-local potentials. More...
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subroutine | nonlocal_pseudopotential_oct_m::znonlocal_pseudopotential_force (this, mesh, st, spiral_bnd, iqn, ndim, psi1b, psi2b, force) |
| calculate contribution to forces, from non-local potentials More...
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subroutine | nonlocal_pseudopotential_oct_m::znonlocal_pseudopotential_position_commutator (this, mesh, std, spiral_bnd, psib, commpsib, async) |
| apply the commutator between the non-local potential and the position to the wave functions. More...
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subroutine | zcommutator_accel () |
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subroutine | nonlocal_pseudopotential_oct_m::znonlocal_pseudopotential_r_vnlocal (this, mesh, std, spiral_bnd, psib, commpsib) |
| Accumulates to commpsib the result of x V_{nl} | psib > More...
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