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Fixing sytax error in issue #68
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ftherrien committed Oct 13, 2023
1 parent 1516ea5 commit f3b0632
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions src/pylada/espresso/structure_handling.py
Original file line number Diff line number Diff line change
Expand Up @@ -236,11 +236,11 @@ def add_structure(structure, f90namelist, cards):
positions.value += "%s %18.12e %18.12e %18.12e\n" % (atom.type, atom.pos[0],
atom.pos[1], atom.pos[2])
else:
positions.value += "%s %18.12e %18.12e %18.12e %i %i %i\n"
%(atom.type, atom.pos[0],atom.pos[1], atom.pos[2],
'x' not in getattr(atom, 'freeze', ''),
'y' not in getattr(atom, 'freeze', ''),
'z' not in getattr(atom, 'freeze', ''))
positions.value += "%s %18.12e %18.12e %18.12e %i %i %i\n"%(
atom.type, atom.pos[0],atom.pos[1], atom.pos[2],
'x' not in getattr(atom, 'freeze', ''),
'y' not in getattr(atom, 'freeze', ''),
'z' not in getattr(atom, 'freeze', ''))
# end selective dynamics modification

__add_forces_to_input(cards, structure)
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