Mercurial > repos > chemteam > biomd_neqgamma
diff test-data/val2.dat @ 0:4f3222cb5cf6 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author | chemteam |
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date | Fri, 11 Sep 2020 21:54:45 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/val2.dat Fri Sep 11 21:54:45 2020 +0000 @@ -0,0 +1,85 @@ + 3.947222e+01 + 2.015408e+01 + 4.916455e+00 + 2.895004e+00 + 2.441851e+00 + 1.693793e+00 + 1.452903e+00 + 1.162406e+00 + 9.084164e-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 + 2.340746e-01 + 2.225550e-01 + 1.889216e-01 + 1.785514e-01 + 1.644114e-01 + 1.600505e-01 + 1.454532e-01 + 1.354044e-01 + 1.321860e-01 + 1.232545e-01 + 1.200232e-01 + 1.047262e-01 + 9.791049e-02 + 9.288340e-02 + 8.730713e-02 + 8.455885e-02 + 7.553143e-02 + 7.464052e-02 + 6.972550e-02 + 6.652490e-02 + 6.060527e-02 + 5.676623e-02 + 5.018758e-02 + 4.989473e-02 + 4.465916e-02 + 4.245147e-02 + 4.105768e-02 + 3.892737e-02 + 3.643909e-02 + 3.230761e-02 + 3.081277e-02 + 2.805252e-02 + 2.607810e-02 + 2.512066e-02 + 2.207874e-02 + 2.048678e-02 + 1.852242e-02 + 1.676865e-02 + 1.442676e-02 + 1.345409e-02 + 1.305316e-02 + 1.238469e-02 + 1.052216e-02 + 1.002041e-02 + 8.120949e-03 + 6.890981e-03 + 6.280023e-03 + 5.707032e-03 + 5.157477e-03 + 4.203180e-03 + 3.501140e-03 + 2.816480e-03 + 2.464769e-03 + 2.086600e-03 + 1.873642e-03 + 1.403898e-03 + 1.196546e-03 + 1.101421e-03 + 8.898859e-04 + 7.096480e-04 + 3.601291e-04 + 2.338039e-04