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run python 2to3 to fix print syntax #26

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run python 2to3 to fix print syntax #26

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18 changes: 9 additions & 9 deletions test/water_clusters/make_input.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3,14 +3,14 @@
import sys

if ( len(sys.argv) != 4 ):
print "Usage: ./make_input.py <cluster> <basis> <method>"
print "<cluster> can be: w1 w2 w3 w4 w5 w6cage w6book w6prism w6cyclic w7 w8s4 w8d2d"
print " w9 w10 w11i434 w11i4412 w11i443 w11i515 w11i551 w12 w13 w14"
print " w15 w16 w17int w17surf w18 w19 w20dode w20fused w20face w20edge"
print " rubrene"
print "<basis> can be 6-31G 6-311G cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ etc."
print "Note that <basis> is case sensitive and must correspond to a file in AQUARIUS/basis."
print "<method> can be ccd, ccsd, or ccsdt"
print("Usage: ./make_input.py <cluster> <basis> <method>")
print("<cluster> can be: w1 w2 w3 w4 w5 w6cage w6book w6prism w6cyclic w7 w8s4 w8d2d")
print(" w9 w10 w11i434 w11i4412 w11i443 w11i515 w11i551 w12 w13 w14")
print(" w15 w16 w17int w17surf w18 w19 w20dode w20fused w20face w20edge")
print(" rubrene")
print("<basis> can be 6-31G 6-311G cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ etc.")
print("Note that <basis> is case sensitive and must correspond to a file in AQUARIUS/basis.")
print("<method> can be ccd, ccsd, or ccsdt")
sys.exit()

#------------
Expand Down Expand Up @@ -1698,7 +1698,7 @@ def print_cc(file,method):
filename = name+'.aq'
file = open(filename,'w\n')
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@jeffhammond jeffhammond Mar 6, 2024

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this is wrong but should be fixed separately


print name
print(name)

print_geom(file,cluster)
print_basis(file,basis)
Expand Down