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[tsscds] Index of /trunk/scripts
[tsscds]
/
trunk
/ scripts
Repository:
Repository Listing
tsscds
Index of /trunk/scripts
Files shown:
80
Directory revision:
306
(of
342
)
Sticky Revision:
File
Rev.
Age
Author
Last log entry
Parent Directory
CATscripts/
279
5 years
baaden
move to trunk 1
HLscripts/
279
5 years
baaden
move to trunk 1
MOPAC_DEV/
279
5 years
baaden
move to trunk 1
FormulaPROD.sh
279
5 years
baaden
move to trunk 1
GUI.py
279
5 years
baaden
move to trunk 1
Makefile.am
306
5 years
tsscds
Makefile updated
SCREENING.sh
279
5 years
baaden
move to trunk 1
SPRINT_screening.sh
279
5 years
baaden
move to trunk 1
SPRINT_screening_assoc.sh
279
5 years
baaden
move to trunk 1
abort.sh
279
5 years
baaden
move to trunk 1
chemical_formula.sh
279
5 years
baaden
move to trunk 1
compare_minfailed_with_other_minima_ll.sh
279
5 years
baaden
move to trunk 1
conf_isomer_ts.sh
279
5 years
baaden
move to trunk 1
createMat.sh
279
5 years
baaden
move to trunk 1
createMat2.sh
279
5 years
baaden
move to trunk 1
createMat3.sh
279
5 years
baaden
move to trunk 1
createMatnbo.sh
279
5 years
baaden
move to trunk 1
createthdist.sh
279
5 years
baaden
move to trunk 1
createthdist0.sh
279
5 years
baaden
move to trunk 1
deg.sh
279
5 years
baaden
move to trunk 1
deg_form.sh
279
5 years
baaden
move to trunk 1
diff.sh
279
5 years
baaden
move to trunk 1
diffGT.sh
279
5 years
baaden
move to trunk 1
final.sh
279
5 years
baaden
move to trunk 1
format.sh
279
5 years
baaden
move to trunk 1
geom.sh
279
5 years
baaden
move to trunk 1
get_NM_mopac.sh
279
5 years
baaden
move to trunk 1
get_freq_mopac.sh
279
5 years
baaden
move to trunk 1
get_geom_mopac.sh
279
5 years
baaden
move to trunk 1
get_geom_thermo_mopac.sh
279
5 years
baaden
move to trunk 1
get_minn.sh
279
5 years
baaden
move to trunk 1
getminfminr.sh
279
5 years
baaden
move to trunk 1
gui.py
279
5 years
baaden
move to trunk 1
gui.sh
279
5 years
baaden
move to trunk 1
gui0.py
279
5 years
baaden
move to trunk 1
identifyprod.sh
279
5 years
baaden
move to trunk 1
initialqv_mopac_samp1.sh
279
5 years
baaden
move to trunk 1
initialqv_mopac_samp2.sh
279
5 years
baaden
move to trunk 1
irc.sh
279
5 years
baaden
move to trunk 1
irc_analysis.sh
279
5 years
baaden
move to trunk 1
kinetics.sh
279
5 years
baaden
move to trunk 1
kmc.sh
279
5 years
baaden
move to trunk 1
llcalcs.sh
279
5 years
baaden
move to trunk 1
min.sh
279
5 years
baaden
move to trunk 1
minandprod.sh
279
5 years
baaden
move to trunk 1
mopac_freq_ts.sh
279
5 years
baaden
move to trunk 1
ntraj.sh
279
5 years
baaden
move to trunk 1
plot_relevant.sh
279
5 years
baaden
move to trunk 1
plot_relevant.sh_old
279
5 years
baaden
move to trunk 1
rate_dependence1.py
279
5 years
baaden
move to trunk 1
rate_dependence2.py
279
5 years
baaden
move to trunk 1
redo_screening.sh
279
5 years
baaden
move to trunk 1
reduce.sh
279
5 years
baaden
move to trunk 1
reduce2.sh
279
5 years
baaden
move to trunk 1
reduce3.sh
279
5 years
baaden
move to trunk 1
remove_ts.sh
279
5 years
baaden
move to trunk 1
rotate.sh
279
5 years
baaden
move to trunk 1
runAS.sh
279
5 years
baaden
move to trunk 1
runGP.sh
279
5 years
baaden
move to trunk 1
run_test.sh
302
5 years
tsscds
run_test.sh added
runirc.sh
279
5 years
baaden
move to trunk 1
runjob.sh
279
5 years
baaden
move to trunk 1
runmin.sh
279
5 years
baaden
move to trunk 1
rxn_network.sh
279
5 years
baaden
move to trunk 1
rxn_network1.sh
279
5 years
baaden
move to trunk 1
sel_mol.sh
299
5 years
tsscds
multiple_minima option added
select.sh
279
5 years
baaden
move to trunk 1
select_AandB.sh
279
5 years
baaden
move to trunk 1
select_assoc.sh
279
5 years
baaden
move to trunk 1
simplifyRXN.sh
279
5 years
baaden
move to trunk 1
slurm_settings_ft2.sh
279
5 years
baaden
move to trunk 1
snapshots_mopac.sh
279
5 years
baaden
move to trunk 1
sort.sh
279
5 years
baaden
move to trunk 1
sort_assoc.sh
279
5 years
baaden
move to trunk 1
symm.sh
279
5 years
baaden
move to trunk 1
thermochem.py
296
5 years
tsscds
update of thermochem
tors.sh
279
5 years
baaden
move to trunk 1
track_view.sh
279
5 years
baaden
move to trunk 1
tsll_view.sh
279
5 years
baaden
move to trunk 1
tsscds.sh
299
5 years
tsscds
multiple_minima option added
tsscds_parallel.sh
279
5 years
baaden
move to trunk 1
utils.sh
279
5 years
baaden
move to trunk 1
window.sh
279
5 years
baaden
move to trunk 1
root@forge.cesga.es
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