Octopus
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This module implements the curvilinear coordinates given in N. A. Modine, G. Zumbach, and E. Kaxiras, Phys. Rev. B 55, 10289-10301 (1997) More...
This module implements the curvilinear coordinates given in N. A. Modine, G. Zumbach, and E. Kaxiras, Phys. Rev. B 55, 10289-10301 (1997)
The local refinement was changed for a simple exponential. I believe that the recipe given by the authors is too complicated for me to sort out.
Data Types | |
interface | curv_modine_t |
Functions/Subroutines | |
class(curv_modine_t) function, pointer | curv_modine_constructor (namespace, dim, npos, pos, lsize, spacing) |
subroutine, public | curv_modine_copy (this_out, this_in) |
subroutine | curv_modine_finalize (this) |
real(real64) function, dimension(1:this%dim) | curv_modine_to_cartesian (this, chi) |
real(real64) function, dimension(1:this%dim) | curv_modine_from_cartesian (this, xx) |
real(real64) function | curv_modine_det_jac (this, xx, chi) |
subroutine | curv_modine_write_info (this, iunit, namespace) |
real(real64) function | curv_modine_surface_element (this, idir) |
pure subroutine | curv_modine_chi2chi2 (this, chi_, chi2, Jac) |
pure subroutine | curv_modine_jacobian_inv (this, chi, xx, Jac) |
pure subroutine | getf (yy, ff, jf) |
subroutine | getf2 (csi, ff, jf) |
Variables | |
class(curv_modine_t), pointer | modine_p |
real(real64), dimension(:), allocatable | x_p |
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private |
Definition at line 176 of file curv_modine.F90.
subroutine, public curv_modine_oct_m::curv_modine_copy | ( | type(curv_modine_t), intent(inout) | this_out, |
type(curv_modine_t), intent(in) | this_in | ||
) |
Definition at line 343 of file curv_modine.F90.
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Definition at line 364 of file curv_modine.F90.
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Definition at line 379 of file curv_modine.F90.
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Definition at line 402 of file curv_modine.F90.
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Definition at line 430 of file curv_modine.F90.
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Definition at line 445 of file curv_modine.F90.
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Definition at line 459 of file curv_modine.F90.
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[out] | jac | the Jacobian of this transformation is diagonal |
Definition at line 470 of file curv_modine.F90.
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[out] | jac | the Jacobian |
Definition at line 511 of file curv_modine.F90.
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Definition at line 554 of file curv_modine.F90.
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Definition at line 566 of file curv_modine.F90.
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Definition at line 170 of file curv_modine.F90.
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Definition at line 171 of file curv_modine.F90.