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[tsscds] Index of /branches/vdw/scripts
[tsscds] / branches / vdw / scripts Repository:
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Index of /branches/vdw/scripts

Files shown:81
Directory revision: 339 (of 342)
Sticky Revision:

File Rev. Age Author Last log entry
 Parent Directory        
CATscripts/  285  5 years  baaden  copy trunk (v2018) to vdw
HLscripts/  336  5 years  tsscds  bug in get_energy_g09_MP2.sh
MOPAC_DEV/  285  5 years  baaden  copy trunk (v2018) to vdw
FormulaPROD.sh  285  5 years  baaden  copy trunk (v2018) to vdw
GUI.py  285  5 years  baaden  copy trunk (v2018) to vdw
Makefile.am  324  5 years  tsscds  
SCREENING.sh  285  5 years  baaden  copy trunk (v2018) to vdw
SPRINT_screening.sh  285  5 years  baaden  copy trunk (v2018) to vdw
SPRINT_screening_assoc.sh  285  5 years  baaden  copy trunk (v2018) to vdw
abort.sh  285  5 years  baaden  copy trunk (v2018) to vdw
chemical_formula.sh  285  5 years  baaden  copy trunk (v2018) to vdw
compare_minfailed_with_other_minima_ll.sh  285  5 years  baaden  copy trunk (v2018) to vdw
conf_isomer_ts.sh  313  5 years  tsscds  conf_isomer_ts updated
createMat.sh  285  5 years  baaden  copy trunk (v2018) to vdw
createMat2.sh  285  5 years  baaden  copy trunk (v2018) to vdw
createMat3.sh  285  5 years  baaden  copy trunk (v2018) to vdw
createMatnbo.sh  285  5 years  baaden  copy trunk (v2018) to vdw
createthdist.sh  285  5 years  baaden  copy trunk (v2018) to vdw
createthdist0.sh  285  5 years  baaden  copy trunk (v2018) to vdw
deg.sh  285  5 years  baaden  copy trunk (v2018) to vdw
deg_form.sh  285  5 years  baaden  copy trunk (v2018) to vdw
diff.sh  285  5 years  baaden  copy trunk (v2018) to vdw
diffGT.sh  285  5 years  baaden  copy trunk (v2018) to vdw
final.sh  321  5 years  tsscds  final, FINAL and nx
format.sh  285  5 years  baaden  copy trunk (v2018) to vdw
geom.sh  285  5 years  baaden  copy trunk (v2018) to vdw
get_NM_mopac.sh  285  5 years  baaden  copy trunk (v2018) to vdw
get_freq_mopac.sh  285  5 years  baaden  copy trunk (v2018) to vdw
get_geom_mopac.sh  285  5 years  baaden  copy trunk (v2018) to vdw
get_geom_thermo_mopac.sh  285  5 years  baaden  copy trunk (v2018) to vdw
get_minn.sh  285  5 years  baaden  copy trunk (v2018) to vdw
getminfminr.sh  285  5 years  baaden  copy trunk (v2018) to vdw
gui.py  285  5 years  baaden  copy trunk (v2018) to vdw
gui.sh  285  5 years  baaden  copy trunk (v2018) to vdw
gui0.py  285  5 years  baaden  copy trunk (v2018) to vdw
identifyprod.sh  285  5 years  baaden  copy trunk (v2018) to vdw
initialqv_mopac_samp1.sh  285  5 years  baaden  copy trunk (v2018) to vdw
initialqv_mopac_samp2.sh  285  5 years  baaden  copy trunk (v2018) to vdw
irc.sh  285  5 years  baaden  copy trunk (v2018) to vdw
irc_analysis.sh  285  5 years  baaden  copy trunk (v2018) to vdw
kinetics.sh  285  5 years  baaden  copy trunk (v2018) to vdw
kmc.sh  339  5 years  tsscds  starting min in KMC folder
llcalcs.sh  333  5 years  tsscds  llcalcs
min.sh  285  5 years  baaden  copy trunk (v2018) to vdw
minandprod.sh  285  5 years  baaden  copy trunk (v2018) to vdw
mopac_freq_ts.sh  285  5 years  baaden  copy trunk (v2018) to vdw
ntraj.sh  285  5 years  baaden  copy trunk (v2018) to vdw
nx.sh  321  5 years  tsscds  final, FINAL and nx
plot_relevant.sh  285  5 years  baaden  copy trunk (v2018) to vdw
plot_relevant.sh_old  285  5 years  baaden  copy trunk (v2018) to vdw
rate_dependence1.py  285  5 years  baaden  copy trunk (v2018) to vdw
rate_dependence2.py  285  5 years  baaden  copy trunk (v2018) to vdw
redo_screening.sh  285  5 years  baaden  copy trunk (v2018) to vdw
reduce.sh  285  5 years  baaden  copy trunk (v2018) to vdw
reduce2.sh  285  5 years  baaden  copy trunk (v2018) to vdw
reduce3.sh  285  5 years  baaden  copy trunk (v2018) to vdw
remove_ts.sh  285  5 years  baaden  copy trunk (v2018) to vdw
rotate.sh  285  5 years  baaden  copy trunk (v2018) to vdw
runAS.sh  285  5 years  baaden  copy trunk (v2018) to vdw
runGP.sh  285  5 years  baaden  copy trunk (v2018) to vdw
run_test.sh  303  5 years  tsscds  run_test.sh added
runirc.sh  285  5 years  baaden  copy trunk (v2018) to vdw
runjob.sh  285  5 years  baaden  copy trunk (v2018) to vdw
runmin.sh  285  5 years  baaden  copy trunk (v2018) to vdw
rxn_network.sh  285  5 years  baaden  copy trunk (v2018) to vdw
rxn_network1.sh  285  5 years  baaden  copy trunk (v2018) to vdw
sel_mol.sh  300  5 years  tsscds  multiple_minima option added
select.sh  285  5 years  baaden  copy trunk (v2018) to vdw
select_AandB.sh  285  5 years  baaden  copy trunk (v2018) to vdw
select_assoc.sh  285  5 years  baaden  copy trunk (v2018) to vdw
simplifyRXN.sh  285  5 years  baaden  copy trunk (v2018) to vdw
slurm_settings_ft2.sh  285  5 years  baaden  copy trunk (v2018) to vdw
snapshots_mopac.sh  285  5 years  baaden  copy trunk (v2018) to vdw
sort.sh  285  5 years  baaden  copy trunk (v2018) to vdw
sort_assoc.sh  285  5 years  baaden  copy trunk (v2018) to vdw
symm.sh  285  5 years  baaden  copy trunk (v2018) to vdw
thermochem.py  297  5 years  tsscds  update of thermochem
tors.sh  285  5 years  baaden  copy trunk (v2018) to vdw
track_view.sh  285  5 years  baaden  copy trunk (v2018) to vdw
tsll_view.sh  285  5 years  baaden  copy trunk (v2018) to vdw
tsscds.sh  300  5 years  tsscds  multiple_minima option added
tsscds_parallel.sh  285  5 years  baaden  copy trunk (v2018) to vdw
utils.sh  318  5 years  tsscds  utils update
window.sh  285  5 years  baaden  copy trunk (v2018) to vdw
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