[ase-users] ase.gui errors

Iyemperumal, Satish Kumar siyemperumal at WPI.EDU
Sat Feb 13 23:13:15 CET 2016


I updated ASE and now I can work with "ctrl+b" etc. But, there are still some deprecation warnings, and I am not sure if I should worry about it much.

/usr/local/lib/python2.7/site-packages/ase/gui/view.py:217: VisibleDeprecationWarning: boolean index did not match indexed array along dimension 0; dimension is 109 but corresponding boolean dimension is 79
  self.bonds[n2:, 1] = self.bonds[i, 0]
...
...
...

Best,
Satish

________________________________________
From: ase-users-bounces at listserv.fysik.dtu.dk [ase-users-bounces at listserv.fysik.dtu.dk] on behalf of Iyemperumal, Satish Kumar [siyemperumal at WPI.EDU]
Sent: Friday, February 12, 2016 2:17 PM
To: ase-users at listserv.fysik.dtu.dk
Subject: [ase-users] ase.gui errors

Hello all,

I created a triclinic supercell that has lattice parameters as follows.

Lattice vectors (as in VASP_POSCAR):

  0.0000000000000000    7.6360000000000001    0.0000000000000000

    -1.9090000000000000   -1.9090000000000000    4.8274999999999997

    26.7259999999999991    0.0000000000000000    9.6549999999999994

I get the following error when I do a Ctrl+b or repeat unit cells in ase.gui

ufunc 'rint' output (typecode 'd') could not be coerced to provided output parameter (typecode 'l') according to the casting rule ''same_kind''

Any suggestions on what might help resolve the issue?

Best,
Satish



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