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Make more examples Python 3 compatible

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This commit is contained in:
Eric Hermes 2018-10-08 12:34:53 -07:00
parent bb3fb8f0f0
commit 87c3f19104
12 changed files with 74 additions and 59 deletions
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3
contrib/python/bpy.nw
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@ -13,6 +13,7 @@ mp2; tight; freeze core atomic; end
#print low
python noprint
from __future__ import print_function
supermolecule = 'geometry noprint; N 13.356 -4.360 16.307;H 12.631 -4.575 16.716;N 11.384 -5.455 18.225;C 10.267 -4.749 18.620 ; end\n'
fragment1 = 'geometry noprint; N 13.356 -4.360 16.307;H 12.631 -4.575 16.716;bqN 11.384 -5.455 18.225;bqC 10.267 -4.749 18.620; end\n'
fragment2 = 'geometry noprint; bqN 13.356 -4.360 16.307;bqH 12.631 -4.575 16.716;N 11.384 -5.455 18.225;C 10.267 -4.749 18.620; end\n'
@ -31,7 +32,7 @@ def bsse_energy():
e = bsse_energy()
if (ga_nodeid() == 0):
print ' BSSE energy (hartrees) = %10.7f ' % (e)
print(' BSSE energy (hartrees) = %10.7f ' % (e))
end
task python