| .. |
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cmmd.charges
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cmmde-gui modification
|
2 years ago |
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cmmd.en.tmp
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cmmde-gui modification
|
2 years ago |
|
cmmd.engrad
|
cmmde-gui modification
|
2 years ago |
|
cmmd.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd.gbw1
|
cmmde-gui modification
|
2 years ago |
|
cmmd.geometries.tmp.0
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cmmde-gui modification
|
2 years ago |
|
cmmd.grad.tmp
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cmmde-gui modification
|
2 years ago |
|
cmmd.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd.in
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cmmde-gui modification
|
2 years ago |
|
cmmd.lastscf
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cmmde-gui modification
|
2 years ago |
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cmmd.maininp.tmp
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cmmde-gui modification
|
2 years ago |
|
cmmd.numcalcinp.tmp
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cmmde-gui modification
|
2 years ago |
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cmmd.out
|
cmmde-gui modification
|
2 years ago |
|
cmmd.xtberr
|
cmmde-gui modification
|
2 years ago |
|
cmmd.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd.xtbtopo.mol
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00000.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00000.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00000.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00000.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00000.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00000_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00001.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00001.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00001.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00001.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00001.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00001_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00002.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00002.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00002.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00002.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00002.xtbrestart
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00002_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00003.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00003.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00003.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00003.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00003.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00003_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00004.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00004.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00004.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00004.res.Gradients
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00004.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00004_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_D00005.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00005.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00005.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00005.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00005.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00005_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_D00006.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00006.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00006.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00006.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00006.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00006_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00007.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00007.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00007.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00007.res.Gradients
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00007.xtbrestart
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00007_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00008.gbw
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cmmde-gui modification
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2 years ago |
|
cmmd_D00008.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00008.res.Dipoles
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cmmde-gui modification
|
2 years ago |
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cmmd_D00008.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00008.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00008_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00009.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00009.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00009.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00009.res.Gradients
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00009.xtbrestart
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00009_property.txt
|
cmmde-gui modification
|
2 years ago |
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cmmd_D00010.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00010.hostnames
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cmmde-gui modification
|
2 years ago |
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cmmd_D00010.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00010.res.Gradients
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00010.xtbrestart
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00010_property.txt
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00011.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00011.hostnames
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cmmde-gui modification
|
2 years ago |
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cmmd_D00011.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00011.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00011.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00011_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00012.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00012.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00012.res.Dipoles
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00012.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00012.xtbrestart
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00012_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00013.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00013.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00013.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00013.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00013.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00013_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00014.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00014.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00014.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00014.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00014.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00014_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00015.gbw
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00015.hostnames
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cmmde-gui modification
|
2 years ago |
|
cmmd_D00015.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00015.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00015.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00015_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00016_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00017_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00018_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00019_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00020_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00021_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00022_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00023_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00024_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00025_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00026_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00027_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00028_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00029_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00030_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00031_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00032_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00033_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00034_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00035_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00036_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00037_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00038_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00039_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00040_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00041_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00042_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00043_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00044_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00045_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00046_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00047_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00048_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00049_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00050_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00051_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00052_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00053_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00054_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00055_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00056_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00057_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00058_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00059_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00060_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00061_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00062_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00063_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00064_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00065_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00066_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00067_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00068_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00069_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00070_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071.xtbrestart
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00071_property.txt
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00072.gbw
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00072.hostnames
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00072.res.Dipoles
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00072.res.Gradients
|
cmmde-gui modification
|
2 years ago |
|
cmmd_D00072.xtbrestart
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cmmde-gui modification
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2 years ago |
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cmmd_D00072_property.txt
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cmmde-gui modification
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2 years ago |
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cmmd_D00073.gbw
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cmmde-gui modification
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2 years ago |
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cmmd_D00073.hostnames
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cmmde-gui modification
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2 years ago |
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cmmd_D00073.res.Dipoles
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cmmde-gui modification
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2 years ago |
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cmmd_D00073.res.Gradients
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cmmde-gui modification
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2 years ago |
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cmmd_D00073.xtbrestart
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cmmde-gui modification
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2 years ago |
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cmmd_D00073_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_D00074.gbw
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cmmde-gui modification
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2 years ago |
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cmmd_D00074.hostnames
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cmmde-gui modification
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2 years ago |
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cmmd_D00074.res.Dipoles
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cmmde-gui modification
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2 years ago |
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cmmd_D00074.res.Gradients
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cmmde-gui modification
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2 years ago |
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cmmd_D00074.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00074_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_D00075.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00075.hostnames
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cmmde-gui modification
|
2 years ago |
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cmmd_D00075.res.Dipoles
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cmmde-gui modification
|
2 years ago |
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cmmd_D00075.res.Gradients
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cmmde-gui modification
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2 years ago |
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cmmd_D00075.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00075_property.txt
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cmmde-gui modification
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2 years ago |
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cmmd_D00076.gbw
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cmmde-gui modification
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2 years ago |
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cmmd_D00076.hostnames
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cmmde-gui modification
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2 years ago |
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cmmd_D00076.res.Dipoles
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cmmde-gui modification
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2 years ago |
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cmmd_D00076.res.Gradients
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cmmde-gui modification
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2 years ago |
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cmmd_D00076.xtbrestart
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cmmde-gui modification
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2 years ago |
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cmmd_D00076_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_D00077.gbw
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cmmde-gui modification
|
2 years ago |
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cmmd_D00077.hostnames
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cmmde-gui modification
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2 years ago |
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cmmd_D00077.res.Dipoles
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cmmde-gui modification
|
2 years ago |
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cmmd_D00077.res.Gradients
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cmmde-gui modification
|
2 years ago |
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cmmd_D00077.xtbrestart
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cmmde-gui modification
|
2 years ago |
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cmmd_D00077_property.txt
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cmmde-gui modification
|
2 years ago |
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cmmd_property.txt
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cmmde-gui modification
|
2 years ago |
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run.sh
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cmmde-gui modification
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2 years ago |
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slurm-3019.out
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cmmde-gui modification
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2 years ago |
