LCPQ/quack
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quack/mol
History
Pierre-Francois Loos ff5b9e4e09 clean up basis sets
2020-10-26 14:52:11 +01:00
..
acetaldehyde.xyz
xyz files
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acetone.xyz
xyz files
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acetylene.xyz
xyz files
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acrolein.xyz
xyz files
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allyl.xyz
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ammonia.xyz
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Ar.xyz
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aza-naphthalene.xyz
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B.xyz
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Be.xyz
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bef.xyz
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beh.xyz
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benzene.xyz
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benzoquinone.xyz
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beryllium.xyz
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bh2.xyz
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butadiene.xyz
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C.xyz
xyz files
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carbon_dimer.xyz
clean up basis sets
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carbon_monoxide.xyz
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carbon_trimer.xyz
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carbonylfluoride.xyz
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ccl2.xyz
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cclf.xyz
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cf2.xyz
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ch3.xyz
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ch.xyz
working on qsUGW
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cn.xyz
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cno.xyz
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co+.xyz
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con.xyz
xyz files
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cyanoacetylene.xyz
xyz files
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cyanoformaldehyde.xyz
xyz files
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cyanogen.xyz
xyz files
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cyclopentadiene.xyz
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cyclopentadienethione.xyz
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cyclopentadienone.xyz
xyz files
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cyclopropene.xyz
xyz files
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cyclopropenethione.xyz
xyz files
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cyclopropenone.xyz
xyz files
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diacetylene.xyz
xyz files
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diazirine.xyz
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diazomethane.xyz
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difluorodiazirine.xyz
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dinitrogen.xyz
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ethylene.xyz
xyz files
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f2bo.xyz
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f2bs.xyz
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F.xyz
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formaldehyde.xyz
xyz files
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formamide.xyz
xyz files
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formylfluoride.xyz
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furan.xyz
xyz files
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glyoxal.xyz
xyz files
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h2.xyz
working on qsUGW
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h2bo.xyz
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h2po.xyz
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h2ps.xyz
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H.xyz
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hccl.xyz
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hcf.xyz
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hco.xyz
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hcp.xyz
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He.xyz
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hexatriene.xyz
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hoc.xyz
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hpo.xyz
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hps.xyz
xyz files
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hsif.xyz
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hydrogen_chloride.xyz
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hydrogen_sulfide.xyz
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imidazole.xyz
xyz files
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isobutene.xyz
xyz files
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ketene.xyz
xyz files
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Li.xyz
xyz files
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maleimide.xyz
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methanimine.xyz
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methylenecyclopropene.xyz
xyz files
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N.xyz
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naphthalene.xyz
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nco.xyz
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Ne.xyz
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nh2.xyz
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nitromethyl.xyz
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nitrosomethane.xyz
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nitroxyl.xyz
clean up basis sets
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no.xyz
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O.xyz
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oh.xyz
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ph2.xyz
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propynal.xyz
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pyrazine.xyz
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pyridazine.xyz
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pyridine.xyz
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pyrimidine.xyz
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pyrrole.xyz
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sicl2.xyz
xyz files
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silylidene.xyz
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streptocyanine-c1.xyz
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streptocyanine-c3.xyz
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streptocyanine-c5.xyz
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tetrazine.xyz
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thioacetone.xyz
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thioacrolein.xyz
xyz files
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thioformaldehyde.xyz
xyz files
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thiophene.xyz
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thiopropynal.xyz
xyz files
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triazine.xyz
xyz files
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vinyl.xyz
xyz files
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water.xyz
xyz files
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Xe.xyz
xyz files
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