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| subroutine, public | test_oct_m::test_run (namespace) |
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| subroutine | test_oct_m::test_hartree (param, namespace) |
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| subroutine | test_oct_m::test_helmholtz_decomposition (namespace) |
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| subroutine | test_oct_m::test_linear_solver (namespace) |
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| subroutine | set_der_aux (der) |
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| subroutine | laplacian_op (x, hx) |
| | Computes \( Hx = (-\Laplacian + shift) x \). More...
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| subroutine | test_oct_m::test_projector (param, namespace) |
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| subroutine | test_oct_m::test_dft_u (param, namespace) |
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| subroutine | test_oct_m::test_hamiltonian (param, namespace) |
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| subroutine | test_oct_m::test_density_calc (param, namespace) |
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| subroutine | test_oct_m::test_boundaries (param, namespace) |
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| subroutine | test_oct_m::test_exponential (param, namespace) |
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| subroutine | test_oct_m::test_subspace_diagonalization (param, namespace) |
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| subroutine | test_oct_m::test_batch_ops (param, namespace) |
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| subroutine | test_oct_m::test_derivatives (param, namespace) |
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| subroutine | test_oct_m::test_orthogonalization (param, namespace) |
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| subroutine | test_oct_m::test_interpolation (param, namespace) |
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| subroutine | test_oct_m::test_ion_interaction (namespace) |
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| subroutine | test_oct_m::test_prints_info_batch (st, gr, psib, string) |
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| subroutine | test_oct_m::test_clock () |
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| subroutine | write_clock (operation) |
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| subroutine | write_condition_result (condition, result) |
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| subroutine | test_oct_m::test_cgal () |
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| subroutine | test_oct_m::test_dense_eigensolver () |
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| subroutine | test_oct_m::test_batch_set_gaussian (psib, mesh) |
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| subroutine | test_oct_m::test_grid_interpolation () |
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| subroutine | test_oct_m::test_iihash () |
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| subroutine | test_oct_m::test_sihash () |
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| subroutine | test_oct_m::test_sphash (namespace) |
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| subroutine | test_oct_m::test_regridding (namespace) |
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| real(real64) function | values (xx) |
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| subroutine | test_oct_m::test_vecpot_analytical (namespace) |
| | Here, analytical formulation for vector potential and B field are used. Ref: Sangita Sen and Erik I. Tellgren, J. Chem. Theory Comput. 17, 3 (2021). Analytical input for vector potential \( A_{r}= 1/3[ -xz, yz, x^2 - y^2] \) When bounded, above expression is multiplied with gaussian envelope \( (1/box_size)*exp^(-x^2-y^2-z^2)] \). More...
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| subroutine | test_oct_m::multigrid_test_interpolation (mgrid, space) |
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| subroutine | test_oct_m::test_current_density (namespace) |
| | Here we test the different contributions to the total electronic current density. More...
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| subroutine | test_oct_m::set_hydrogen_states (psib, mesh, namespace, alpha, a0) |
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| complex(real64) function | test_oct_m::lc_hydrogen_state (rr, alpha, a0) |
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| real(real64) function | test_oct_m::psi_1s (rr, a0) |
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| real(real64) function | test_oct_m::psi_2s (rr, a0) |
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| real(real64) function | test_oct_m::dr_psi_1s (rr, a0) |
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| real(real64) function | test_oct_m::dr_psi_2s (rr, a0) |
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1.9.4