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| subroutine, public | helium_common::helium_pbc (helium, r, enforce) |
| | General PBC routine for helium.
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| subroutine, public | helium_common::helium_boxmean_3d (helium, a, b, c) |
| | Calculate the point equidistant from two other points a and b within the helium box - 3D version.
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| subroutine, public | helium_common::helium_calc_rho (helium) |
| | Calculate helium density distribution functions and store them in heliumrho_inst.
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| subroutine, public | helium_common::helium_calc_rdf (helium) |
| | Calculate helium radial distribution functions wrt positions given by <centers> using the atomic weights given by <weights>.
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| pure subroutine, public | helium_common::helium_calc_plength (helium) |
| | Calculate probability distribution of the permutation lengths.
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| pure subroutine, public | helium_common::helium_rotate (helium, nslices) |
| | Rotate helium particles in imaginary time by nslices.
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| real(kind=dp) function, public | helium_common::helium_eval_expansion (helium, r, rp, work, action) |
| | Calculate the pair-product action or energy by evaluating the power series expansion according to Eq. 4.46 in Ceperley 1995.
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| real(kind=dp) function, public | helium_common::helium_eval_chain (helium, rchain, nchain, aij, vcoef, energy) |
| | Calculate the pair-product action or energy by evaluating the power series expansion according to Eq. 4.46 in Ceperley 1995.
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| subroutine, public | helium_common::helium_update_transition_matrix (helium) |
| | ...
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| real(kind=dp) function, public | helium_common::helium_spline (spl, xx) |
| | ...
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| integer function, public | helium_common::helium_cycle_number (helium, atom_number, permutation) |
| | Given the atom number and permutation state return the cycle number the atom belongs to.
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| pure integer function, public | helium_common::helium_path_length (helium, atom_number, permutation) |
| | Given the atom number and permutation state return the length of the path this atom belongs to.
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| pure integer function, dimension(:), pointer, public | helium_common::helium_cycle_of (element, permutation) |
| | Given an element of a permutation return the cycle it belongs to.
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| real(kind=dp) function, dimension(3), public | helium_common::helium_total_winding_number (helium) |
| | Return total winding number.
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| real(kind=dp) function, dimension(3), public | helium_common::helium_total_projected_area (helium) |
| | Return total projected area.
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| real(kind=dp) function, dimension(3), public | helium_common::helium_total_moment_of_inertia (helium) |
| | Return total moment of inertia divided by m_He.
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| pure subroutine, public | helium_common::helium_update_coord_system (helium, pint_env) |
| | Set coordinate system, e.g. for RHO calculations.
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| pure subroutine, public | helium_common::helium_set_rdf_coord_system (helium, pint_env) |
| | Set coordinate system for RDF calculations.
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| pure real(kind=dp) function, dimension(3), public | helium_common::helium_com (helium) |
| | Calculate center of mass.
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| logical function, public | helium_common::helium_is_winding (helium, atmidx, pos, permutation) |
| | Given the atom index and permutation state returns .TRUE. if the atom belongs to a winding path, .FASLE. otherwise.
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1.9.8