import os
from cclib.parser import Jaguar

os.chdir(os.path.join("..","data","Jaguar","basicJaguar"))

os.chdir("eg01")

for file in ["dvb_gopt.out"]:
	t = Jaguar(file)
	t.parse()

print t.moenergies[0,:]
print t.homos[0]
print t.moenergies[0,t.homos[0]]

import os
from cclib.parser import Jaguar

os.chdir(os.path.join("..","data","Jaguar","basicJaguar"))

files = [ ["eg01","dvb_gopt.out"],
          ["eg02","dvb_sp.out"],
          ["eg03","dvb_ir.out"],
          ["eg06","dvb_un_sp.out"] ]

for f in files:
    t = Jaguar(os.path.join(f[0],f[1]))
    t.parse()
    if f[0]!="eg03":
        print t.scfvalues

Test the parsing of all of the uploaded Jaguar files
Test the parsing of all of the uploaded Jaguar files

git-svn-id: d468cea6ffe92bc1eb1f3bde47ad7e70b065426a@75 5acbf244-8a03-4a8b-a19b-0d601add4d27
