view test-data/val.dat @ 0:dd195f7a791c draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit ee29bbfa4e78dca11e2e06d0d35a434c063ab588"
author chemteam
date Thu, 30 Jan 2020 07:58:42 -0500
parents
children
line wrap: on
line source

    3.947222e+01
    2.015408e+01
    4.916455e+00
    2.895004e+00
    2.441851e+00
    1.693793e+00
    1.452903e+00
    1.162406e+00
    9.084163e-01
    8.297056e-01
    7.989324e-01
    6.787932e-01
    5.389385e-01
    4.860497e-01
    4.819947e-01
    4.578189e-01
    4.253657e-01
    3.982626e-01
    3.460761e-01
    3.256565e-01
    2.848984e-01
    2.736597e-01
    2.479534e-01
    2.340745e-01
    2.225551e-01
    1.889215e-01
    1.785513e-01
    1.644114e-01
    1.600505e-01
    1.454533e-01
    1.354044e-01
    1.321860e-01
    1.232544e-01
    1.200232e-01
    1.047262e-01
    9.791054e-02
    9.288343e-02
    8.730712e-02
    8.455886e-02
    7.553146e-02
    7.464053e-02
    6.972549e-02
    6.652490e-02
    6.060531e-02
    5.676623e-02
    5.018758e-02
    4.989483e-02
    4.465919e-02
    4.245154e-02
    4.105765e-02
    3.892739e-02
    3.643910e-02
    3.230759e-02
    3.081278e-02
    2.805245e-02
    2.607806e-02
    2.512062e-02
    2.207873e-02
    2.048675e-02
    1.852247e-02
    1.676865e-02
    1.442674e-02
    1.345403e-02
    1.305317e-02
    1.238466e-02
    1.052215e-02
    1.002042e-02
    8.120974e-03
    6.890932e-03
    6.279938e-03
    5.707040e-03
    5.157449e-03
    4.203168e-03
    3.501119e-03
    2.816421e-03
    2.464797e-03
    2.086617e-03
    1.873654e-03
    1.403892e-03
    1.196570e-03
    1.101350e-03
    8.899093e-04
    7.096377e-04
    3.600828e-04
    2.338050e-04