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Unbreak examples/check.ctl under MPI #141

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Merged
stevengj merged 2 commits into from
Feb 4, 2022
Merged

Unbreak examples/check.ctl under MPI #141

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a38e5c1
`examples/check.ctl`: skip symmetry-eigenvalue calculations under MPI
thchr Feb 3, 2022
d0eaf7f
doc nits: use `-` rather than `_`
thchr Feb 3, 2022
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6 changes: 3 additions & 3 deletions doc/docs/Scheme_User_Interface.md
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Expand Up @@ -586,15 +586,15 @@ $W$ and $w$ should be supplied as `matrix3x3` and `vector3` variables in the bas

Given the character tables associated with the little groups of a considered photonic crystal, this functionality can e.g. be used to infer which irreducible representation (irrep) a given band (or band grouping) transforms as across the Brillouin zone.

**`(compute-symmetry which_band W w)`**
**`(compute-symmetry which-band W w)`**
Compute the $(\mathbf{H}|g\mathbf{B})$ character for `which-band` under a symmetry operation with rotation `W` and translation `w`, returning a complex number.

**`(compute-symmetries W w)`**
Equivalent to `compute-symmetry`, but returns characters for *all* computed bands, returning a list of complex numbers.

**`(transformed_overlap W w)`**
**`(transformed-overlap W w)`**
Sets **F**′ to `curfield` (must be either a **D**- or **B**-field) and computes the associated character under the symmetry operation specified by `W` and `w`, returning a complex number.
Usually, it will be more convenient to call `compute-symmetry` (which wraps `transformed_overlap` with an initialization of `curfield` via `get-bfield`).
Usually, it will be more convenient to call `compute-symmetry` (which wraps `transformed-overlap` with an initialization of `curfield` via `get-bfield`).

Field Manipulation
------------------
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7 changes: 7 additions & 0 deletions examples/check.ctl
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Expand Up @@ -303,6 +303,9 @@

;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

(if (not (using-mpi?)) ; currently do not support transformed-overlap with MPI
(begin

(print
"**************************************************************************\n"
" Test case: symmetry transformed overlaps & inversion/mirror eigenvalues.\n"
Expand Down Expand Up @@ -342,6 +345,10 @@
(check-almost-equal (map real-part symeigs-zodd) '(-1 -1 -1 -1 -1 -1))
(check-almost-equal (map imag-part symeigs-zodd) '( 0 0 0 0 0 0))


) ; begin
) ; if (not (using-mpi?))

;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

(display-eigensolver-stats)
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