From a38e5c1fa281e86e2f22e13a92e849b015f24bcd Mon Sep 17 00:00:00 2001 From: Thomas Christensen Date: Thu, 3 Feb 2022 15:48:40 -0500 Subject: [PATCH 1/2] `examples/check.ctl`: skip symmetry-eigenvalue calculations under MPI --- examples/check.ctl | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/examples/check.ctl b/examples/check.ctl index 4a6c789..b8d114c 100644 --- a/examples/check.ctl +++ b/examples/check.ctl @@ -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" @@ -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) From d0eaf7f8cd261fb1a1578fe0f2661a488ffd6479 Mon Sep 17 00:00:00 2001 From: Thomas Christensen Date: Thu, 3 Feb 2022 17:52:25 -0500 Subject: [PATCH 2/2] doc nits: use `-` rather than `_` --- doc/docs/Scheme_User_Interface.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/docs/Scheme_User_Interface.md b/doc/docs/Scheme_User_Interface.md index 1b19fa5..0e3ee5e 100644 --- a/doc/docs/Scheme_User_Interface.md +++ b/doc/docs/Scheme_User_Interface.md @@ -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 ------------------