Parent Directory
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CATscripts/
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12 |
6 years |
baaden |
cambio de bin_SCRIPTS a dist_bin_SCRIPTS en scripts |
HLscripts/
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12 |
6 years |
baaden |
cambio de bin_SCRIPTS a dist_bin_SCRIPTS en scripts |
MOPAC_DEV/
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12 |
6 years |
baaden |
cambio de bin_SCRIPTS a dist_bin_SCRIPTS en scripts |
FormulaPROD.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
GUI.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
Makefile.am
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12 |
6 years |
baaden |
cambio de bin_SCRIPTS a dist_bin_SCRIPTS en scripts |
SCREENING.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
SPRINT_screening.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
SPRINT_screening_assoc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
chemical_formula.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
compare_minfailed_with_other_minima_ll.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createMat.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createMat2.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createMat3.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createMatnbo.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createthdist.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
createthdist0.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
deg.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
deg_form.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
diff.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
diffGT.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
format.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
geom.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
get_freq_mopac.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
get_geom_mopac.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
get_minn.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
getminfminr.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
gui.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
gui.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
gui0.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
identifyprod.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
initialqv_mopac_samp1.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
initialqv_mopac_samp2.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
irc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
irc_analysis.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
kmc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
min.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
minandprod.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
mkbl.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
mopac_freq_ts.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
ntraj.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
plot_relevant.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
plot_relevant.sh_old
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4 |
6 years |
baaden |
autoconfiscating mostly done |
rate_dependence1.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
rate_dependence2.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
reduce.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
reduce2.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
refine2.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
rotate.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
runAS.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
runGP.sh
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5 |
6 years |
tsscds |
cambie ligeramente runGP.sh y runjob.sh |
runirc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
runjob.sh
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5 |
6 years |
tsscds |
cambie ligeramente runGP.sh y runjob.sh |
runmin.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
rxn_network.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
rxn_network1.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
sel_mol.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
select_AandB.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
select_assoc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
simplifyRXN.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
snapshots_mopac.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
sort.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
sort_assoc.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
symm.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
thermochem.py
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4 |
6 years |
baaden |
autoconfiscating mostly done |
tors.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
tsscds.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
tsscds_parallel.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |
utils.sh
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4 |
6 years |
baaden |
autoconfiscating mostly done |