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Sascha f75bd0da68 unzip 2024-03-04 16:20:49 +07:00
..
GEO_OPT_CONVERGED unzip 2024-03-04 16:20:49 +07:00
GEO_OPT_FAILED unzip 2024-03-04 16:20:49 +07:00
aoforce.out unzip 2024-03-04 16:20:49 +07:00
basis unzip 2024-03-04 16:20:49 +07:00
control unzip 2024-03-04 16:20:49 +07:00
converged unzip 2024-03-04 16:20:49 +07:00
coord unzip 2024-03-04 16:20:49 +07:00
dipgrad unzip 2024-03-04 16:20:49 +07:00
energy unzip 2024-03-04 16:20:49 +07:00
fort.16 unzip 2024-03-04 16:20:49 +07:00
gradient unzip 2024-03-04 16:20:49 +07:00
hessapprox unzip 2024-03-04 16:20:49 +07:00
job.70 unzip 2024-03-04 16:20:49 +07:00
job.last unzip 2024-03-04 16:20:49 +07:00
job.start unzip 2024-03-04 16:20:49 +07:00
mos unzip 2024-03-04 16:20:49 +07:00
nextstep unzip 2024-03-04 16:20:49 +07:00
nohup.out unzip 2024-03-04 16:20:49 +07:00
not.converged unzip 2024-03-04 16:20:49 +07:00
optinfo unzip 2024-03-04 16:20:49 +07:00
statistics unzip 2024-03-04 16:20:49 +07:00
test3.xyz unzip 2024-03-04 16:20:49 +07:00
uff.out unzip 2024-03-04 16:20:49 +07:00
uffconverged unzip 2024-03-04 16:20:49 +07:00
uffenergy unzip 2024-03-04 16:20:49 +07:00
uffgradient unzip 2024-03-04 16:20:49 +07:00
uffgradx unzip 2024-03-04 16:20:49 +07:00
uffhessian0-0 unzip 2024-03-04 16:20:49 +07:00
ufftopology unzip 2024-03-04 16:20:49 +07:00
vib_normal_modes unzip 2024-03-04 16:20:49 +07:00
vibspectrum unzip 2024-03-04 16:20:49 +07:00
vibspectrum.gibbs unzip 2024-03-04 16:20:49 +07:00