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quantum_package/data/inputs
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Anthony Scemama 2f3c451a4e Updated input files with atom labels
2014-04-11 01:56:30 +02:00
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Al.md5
Updated input files with atom labels
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Al+.md5
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AlCl.md5
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AlH2.md5
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AlH3.md5
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AlH.md5
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B.md5
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B+.md5
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BCl.md5
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Be.md5
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Be+.md5
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BeCl.md5
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BeF.md5
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BeH2.md5
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BeH.md5
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BeO.md5
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BeOH.md5
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BeS.md5
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BH2.md5
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BH3.md5
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BH.md5
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BO.md5
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BS.md5
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C2.md5
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C2H2.md5
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C2H2+.md5
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C2H3.md5
Updated input files with atom labels
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C2H3+.md5
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C2H4.md5
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C2H4+.md5
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C2H5.md5
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C2H6.md5
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C2H.md5
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C-.md5
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C.md5
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C+.md5
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CCl.md5
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CF.md5
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CH2_1A1.md5
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CH2_3B1.md5
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CH2-.md5
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CH3-.md5
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CH3.md5
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CH4.md5
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CH4+.md5
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CH-.md5
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CH.md5
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Cl2-.md5
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Cl2.md5
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Cl2+.md5
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Cl-.md5
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Cl.md5
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Cl+.md5
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ClH2+.md5
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ClH.md5
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ClH+.md5
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ClS.md5
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ClSiH3.md5
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CN-.md5
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CN.md5
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CO2.md5
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CO.md5
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CO+.md5
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COS.md5
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CP.md5
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CS2.md5
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CS.md5
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CS+.md5
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CSi.md5
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F2.md5
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F-.md5
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F.md5
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F+.md5
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FAl.md5
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FCl.md5
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FCl+.md5
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FH.md5
Updated input files with atom labels
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FH+.md5
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FMg.md5
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FNa.md5
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FP.md5
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FS.md5
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FSi.md5
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FSiH3.md5
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H2.md5
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H2CNH.md5
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H2CO.md5
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H2CPH.md5
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H2CS.md5
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H2NNH2.md5
Updated input files with atom labels
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H2PPH2.md5
Updated input files with atom labels
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H3CCl.md5
Updated input files with atom labels
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H3CF.md5
Updated input files with atom labels
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H3CNH2.md5
Updated input files with atom labels
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H3COH.md5
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H3CSH.md5
Updated input files with atom labels
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H3SiSiH3.md5
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H.md5
Updated input files with atom labels
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HBO.md5
Updated input files with atom labels
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HBS.md5
Updated input files with atom labels
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HCF.md5
Updated input files with atom labels
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HCN.md5
Updated input files with atom labels
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HCO.md5
Updated input files with atom labels
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HCP.md5
Updated input files with atom labels
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HNO.md5
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HOCl.md5
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HOF.md5
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HOMg.md5
Updated input files with atom labels
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HONa.md5
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HOO.md5
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HOOH.md5
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HSSH.md5
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Li2.md5
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Li.md5
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Li+.md5
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LiCl.md5
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LiF.md5
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LiH.md5
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LiN.md5
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LiO.md5
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LiOH.md5
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Makefile
Tests more general
2014-04-07 22:47:34 +02:00
Mg.md5
Updated input files with atom labels
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Mg+.md5
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MgCl.md5
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MgH.md5
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MgS.md5
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N2.md5
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N2+.md5
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N.md5
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N+.md5
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Na2.md5
Updated input files with atom labels
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Na.md5
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Na+.md5
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NaCl.md5
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NaH.md5
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NF.md5
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NH2-.md5
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NH2.md5
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NH3.md5
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NH3+.md5
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NH4+.md5
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NH-.md5
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NH.md5
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NO-.md5
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NO.md5
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NP.md5
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NS.md5
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NSi.md5
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O2-.md5
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O2.md5
Updated input files with atom labels
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O2+.md5
Updated input files with atom labels
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O2Cl.md5
Updated input files with atom labels
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O2S.md5
Updated input files with atom labels
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O2Si.md5
Updated input files with atom labels
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O3.md5
Updated input files with atom labels
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O-.md5
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O.md5
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O+.md5
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OCl.md5
Updated input files with atom labels
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OH2.md5
Updated input files with atom labels
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OH2+.md5
Updated input files with atom labels
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OH3+.md5
Updated input files with atom labels
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OH-.md5
Updated input files with atom labels
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OH.md5
Updated input files with atom labels
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OH+.md5
Updated input files with atom labels
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OMg.md5
Updated input files with atom labels
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ONa.md5
Updated input files with atom labels
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OP-.md5
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OP.md5
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OPH.md5
Updated input files with atom labels
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OS.md5
Updated input files with atom labels
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OSi.md5
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P2.md5
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P2+.md5
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P-.md5
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P.md5
Updated input files with atom labels
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PCl.md5
Updated input files with atom labels
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PH2-.md5
Updated input files with atom labels
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PH2.md5
Updated input files with atom labels
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PH2+.md5
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PH3.md5
Updated input files with atom labels
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PH3+.md5
Updated input files with atom labels
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PH4+.md5
Updated input files with atom labels
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PH-.md5
Updated input files with atom labels
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PH.md5
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PS.md5
Updated input files with atom labels
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S2-.md5
Updated input files with atom labels
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S2.md5
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S-.md5
Updated input files with atom labels
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S.md5
Updated input files with atom labels
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S+.md5
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SH2.md5
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SH2+.md5
Updated input files with atom labels
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SH3+.md5
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SH-.md5
Updated input files with atom labels
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SH.md5
Updated input files with atom labels
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SH+.md5
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Si2.md5
Updated input files with atom labels
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Si-.md5
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Si.md5
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SiCl.md5
Updated input files with atom labels
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SiH2_1A1.md5
Updated input files with atom labels
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SiH2_3B1.md5
Updated input files with atom labels
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SiH2-.md5
Updated input files with atom labels
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SiH3-.md5
Updated input files with atom labels
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SiH3.md5
Updated input files with atom labels
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SiH4.md5
Updated input files with atom labels
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SiH4+.md5
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SiH-.md5
Updated input files with atom labels
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SiH.md5
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SiS.md5
Updated input files with atom labels
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