Mercurial > repos > recetox > qcxms_getres

directory /test-data/ @ 0:ef51824f6d04 draft

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[up] drwxr-xr-x
dir. res_files/ drwxr-xr-x
file TMP.1_qcxms_in.txt 121 -rw-r--r--
file TMP.1_qcxms_start.txt 585 -rw-r--r--
file TMP.1_start_xyz.txt 475 -rw-r--r--
file mol.xyz 965 -rw-r--r--
file output.msp 1598 -rw-r--r--
file res_out.txt 124 -rw-r--r--