Commit 7fbec6e9 authored by Remi Perenon's avatar Remi Perenon

Merge branch 'bugfix-qvector_circular_lattice_generator_bug' into 'develop'

Bugfix qvector circular lattice generator bug

See merge request !56
parents e6522414 f5b299f3
Pipeline #7116 passed with stages
in 22 minutes and 6 seconds
version 1.4.0
--------------
* FIXED issue #52 QVector circular lattice generator created an error
* FIXED issue #51 SFFSF job was accessible from MMTK trajectory and molecular viewer
* FIXED issue #50 Some results could be inconsistent when using multiple atom selections
* FIXED issue #49 Some LAMMPS files could not be converted
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......@@ -46,7 +46,9 @@ class CircularLatticeQVectors(LatticeQVectors):
qMax = self._configuration["shells"]["last"] + 0.5*self._configuration["width"]["value"]
uvMax = numpy.ceil([qMax/Vector(v).length() for v in qVects.T]) + 1
uvMax = numpy.ceil([qMax/Vector(v).length() for v in qVects.T]) + 1
# Enforce integers in uvMax
uvMax = uvMax.astype(numpy.int64)
idxs = numpy.mgrid[-uvMax[0]:uvMax[0]+1,-uvMax[1]:uvMax[1]+1]
......
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