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Merge pull request #246 from jtkrogel/dev 

nexus: fix for net_spin="low" in generate_physical_system
This commit is contained in:
Mark Dewing 2017-06-01 13:06:50 -05:00 committed by GitHub
parent 8a8671e1d5 5da1c1be6f
commit bc13815d17
2 changed files with 6 additions and 1 deletions
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4
nexus/library/physical_system.py
View File

@ -694,7 +694,9 @@ def generate_physical_system(**kwargs):
if extensive:
ncells = int(round(structure.volume()/folded_structure.volume()))
net_charge = ncells*net_charge
net_spin = ncells*net_spin
if not isinstance(net_spin,str):
net_spin = ncells*net_spin
#end if
#end if
if tiled_spin!=None:
net_spin = tiled_spin

3
nexus/library/structure.py
View File

@ -5387,6 +5387,9 @@ def generate_crystal_structure(lattice=None,cell=None,centering=None,
if kgrid!=None:
structure.add_kmesh(kgrid,kshift)
#end if
if tiling!=None:
structure = structure.tile(tiling)
#end if
return structure
#end if