# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# e.g. 0 means do not compare anything, running is enough
#      1 compares the last total energy in the file
#      for details see cp2k/tools/do_regtest
Ag2.inp         1    1.0E-12   -8.631263715104856 
AgCl.inp        1    1.0E-12   -8.656105614629441 
Al2O3.inp       1    1.0E-12   -12.295398776506980 
Al2S3.inp       1    1.0E-12   -12.537418496572164 
AlCl3.inp       1    1.0E-12   -14.283580896134788 
AlF3.inp        1    1.0E-12   -13.067885957879197 
AlH3.inp        1    1.0E-12   -3.106412074665100 
AlN.inp         1    1.0E-12   -4.141534847431983 
As4.inp         1    1.0E-12   -9.880813017149885 
As4S4.inp       1    1.0E-12   -22.872057464055302 
AsCl3.inp       1    1.0E-12   -15.435803981420477 
AsCl6-.inp      1    1.0E-12   -29.818048280101557 
AsH3.inp        1    1.0E-12   -4.126678762349075 
Au2.inp         1    1.0E-12   -9.655921646015543 
Au3-.inp        1    1.0E-12   -16.068807403896304 
AuCl.inp        1    1.0E-12   -9.158110104829015 
AuCl3.inp       1    1.0E-12   -17.724386307079367 
B2H6.inp        1    1.0E-12   -5.980523221200243 
B3N3H6.inp      1    1.0E-12   -16.389643910945438 
B4H4.inp        1    1.0E-12   -7.188707800912229 
BaF.inp         1    1.0E-12   -4.439644779878496 
BaF2.inp        1    1.0E-12   -8.500688056056161 
BaH2.inp        1    1.0E-12   -1.779303536074299 
BaO.inp         1    1.0E-12   -3.948400164276888 
BaS.inp         1    1.0E-12   -4.014587341840421 
Be2F4.inp       1    1.0E-12   -17.357839960101053 
Be2H4.inp       1    1.0E-12   -4.020034710521830 
Be4.inp         1    1.0E-12   -3.044968671705266 
BeC2H6.inp      1    1.0E-12   -8.345348531885099 
BeF2O2H4.inp    1    1.0E-12   -17.405411523269862 
BeH2.inp        1    1.0E-12   -1.982493715247877 
BeS.inp         1    1.0E-12   -4.064521785554316 
BF3.inp         1    1.0E-12   -13.083983415921962 
BH3.inp         1    1.0E-12   -2.991981910789615 
BH3CO.inp       1    1.0E-12   -8.393510446959798 
BH3NH3.inp      1    1.0E-12   -7.612903826706598 
BiCl6-.inp      1    1.0E-12   -29.880255761850091 
BiF.inp         1    1.0E-12   -6.319637756140162 
BiF3.inp        1    1.0E-12   -14.228089288555330 
BiH3.inp        1    1.0E-12   -4.310727186548794 
BiO2.inp        1    1.0E-12   -8.976030369313916 
Br2.inp         1    1.0E-12   -7.305471218854673 
BrCl.inp        1    1.0E-12   -7.933305516988935 
BrO4-.inp       1    1.0E-12   -18.143895499833828 
C2H2.inp        1    1.0E-12   -5.277118304950072 
C2H3N.inp       1    1.0E-12   -8.708577737140525 
C2H4.inp        1    1.0E-12   -6.423890202352460 
C2H6.inp        1    1.0E-12   -7.582009082402000 
C4H4.inp        1    1.0E-12   -10.468943719153776 
C6H6.inp        1    1.0E-12   -15.956363044095635 
CaCl2.inp       1    1.0E-12   -9.385169244555035 
CaF2.inp        1    1.0E-12   -8.491955648438537 
CaH2.inp        1    1.0E-12   -1.807855055806783 
CdF2.inp        1    1.0E-12   -8.668661446731729 
CdMe2.inp       1    1.0E-12   -8.400756961819425 
CF4.inp         1    1.0E-12   -17.587341420459129 
CH2O.inp        1    1.0E-12   -6.465899467414715 
CH2O2.inp       1    1.0E-12   -9.656800663727012 
CH3N.inp        1    1.0E-12   -6.689209710746470 
CH3OH.inp       1    1.0E-12   -7.594829750008087 
CH4.inp         1    1.0E-12   -4.357850871204862 
Cl2.inp         1    1.0E-12   -8.551100291325884 
ClF.inp         1    1.0E-12   -8.095206532851648 
ClF3.inp        1    1.0E-12   -15.798766396730631 
CO.inp          1    1.0E-12   -5.345596051312047 
CO2.inp         1    1.0E-12   -8.690387504431438 
CoCl3.inp       1    1.0E-12   -16.594100314731392 
CoF2.inp        1    1.0E-12   -11.547443241215735 
CoF3.inp        1    1.0E-12   -15.407948232172838 
CrCl3.inp       1    1.0E-12   -15.132710281749940 
CrCO6.inp       1    1.0E-12   -34.576169498437160 
CrF3.inp        1    1.0E-12   -14.004516239545429 
CrO3.inp        1    1.0E-12   -12.146404805659911 
CS2.inp         1    1.0E-12   -8.592940346250861 
CsF.inp         1    1.0E-12   -4.419960884406119 
CsH.inp         1    1.0E-12   -1.063894629074952 
CsO.inp         1    1.0E-12   -3.737674449770467 
Cu2.inp         1    1.0E-12   -9.049966469796665 
Cu2O.inp        1    1.0E-12   -12.324387778669172 
Cu2S.inp        1    1.0E-12   -12.422182396318043 
CuCl.inp        1    1.0E-12   -8.869718147657760 
CuCN.inp        1    1.0E-12   -9.578391375357649 
CuF.inp         1    1.0E-12   -8.449431919283848 
CuH.inp         1    1.0E-12   -5.132478991150594 
#EOF
