Key1 |
Key2 |
Scriptname |
---|---|---|
tag |
file |
tag_file.sh |
dummy |
dummy |
dummy.sh |
functions |
common |
functions_common.sh |
csg |
master |
inverse.sh |
check |
csg_xml |
check_csg_xml.py |
prepare |
ibi |
prepare_generic.sh |
prepare |
iie |
prepare_iie.sh |
prepare |
imc |
prepare_imc.sh |
prepare |
generic |
prepare_generic.sh |
prepare |
optimizer |
prepare_optimizer.sh |
prepare |
re |
prepare_re.sh |
prepare_single |
ibi |
prepare_generic_single.sh |
prepare_single |
imc |
prepare_generic_single.sh |
prepare_single |
generic |
prepare_generic_single.sh |
prepare_single |
optimizer |
prepare_optimizer_single.sh |
initstep |
ibi |
initialize_step_generic.sh |
initstep |
iie |
initialize_step_generic.sh |
initstep |
imc |
initialize_step_generic.sh |
initstep |
optimizer |
initialize_step_optimizer.sh |
initstep |
re |
initialize_step_re.sh |
add_pot |
ibi |
add_pot_generic.sh |
add_pot |
iie |
add_pot_generic.sh |
add_pot |
imc |
add_pot_generic.sh |
add_pot |
optimizer |
dummy.sh |
add_pot |
re |
dummy.sh |
pre_update |
ibi |
dummy.sh |
pre_update |
iie |
dummy.sh |
pre_update |
imc |
dummy.sh |
pre_update |
optimizer |
dummy.sh |
pre_update |
re |
pre_update_re.sh |
post_update |
ibi |
post_update_generic.sh |
post_update |
iie |
post_update_generic.sh |
post_update |
imc |
post_update_generic.sh |
post_update |
optimizer |
dummy.sh |
post_update |
re |
post_update_generic.sh |
post_update_single |
ibi |
post_update_generic_single.sh |
post_update_single |
iie |
post_update_generic_single.sh |
post_update_single |
imc |
post_update_generic_single.sh |
post_update_single |
re |
post_update_re_single.sh |
postupd |
scale |
postupd_scale.sh |
postupd |
pressure |
postupd_pressure.sh |
postupd |
lj |
postupd_addlj.sh |
postupd |
splinesmooth |
postupd_splinesmooth.sh |
postupd |
smooth |
postupd_smooth.sh |
postupd |
shift |
postadd_shift.sh |
postupd |
dummy |
postadd_dummy.sh |
postupd |
tag |
tag_file.sh |
postupd |
extrapolate |
postupd_extrapolate.sh |
postupd |
kbibi |
postupd_kbibi_correction.sh |
postupd |
cibi |
postupd_cibi_correction.sh |
postupd |
ibi |
postupd_ibi.sh |
post |
add |
post_add.sh |
post |
add_single |
post_add_single.sh |
postadd |
tag |
tag_file.sh |
postadd |
dummy |
postadd_dummy.sh |
postadd |
copyback |
postadd_copyback.sh |
postadd |
compress |
postadd_compress.sh |
postadd |
convergence |
postadd_convergence.sh |
postadd |
acc_convergence |
postadd_acc_convergence.sh |
postadd |
shift |
postadd_shift.sh |
postadd |
overwrite |
postadd_overwrite.sh |
postadd |
plot |
postadd_plot.sh |
postadd |
average |
postadd_average.sh |
postadd |
smooth_at_cut_off |
postadd_smooth_at_cut_off.sh |
convergence_check |
default |
convergence_check_default.sh |
resample |
target |
resample_target.sh |
update |
ibi |
update_ibi.sh |
update |
ibi_single |
update_ibi_single.sh |
update |
ibi_pot |
update_ibi_pot.pl |
update |
iie |
update_iie.sh |
update |
iie_pot |
iie.py |
dist |
invert_iie |
iie.py |
rdf_incl_intra |
generic |
calc_rdf_generic.sh |
update |
imc |
update_imc.sh |
update |
imc_single |
update_imc_single.sh |
optimizer |
prepare_state |
optimizer_prepare_state.sh |
optimizer |
parameters_to_potential |
optimizer_parameters_to_potential.sh |
optimizer |
state_to_potentials |
optimizer_state_to_potentials.sh |
optimizer |
state_to_mapping |
optimizer_state_to_mapping.sh |
update |
optimizer |
update_optimizer.sh |
update |
optimizer_single |
update_optimizer_single.sh |
optimizer_target |
rdf |
optimizer_target_rdf.sh |
optimizer_target |
density |
optimizer_target_density.sh |
optimizer_target |
pressure |
optimizer_target_pressure.sh |
simplex |
precede_state |
simplex_downhill_processor.pl |
cma |
precede_state |
cma_processor.py |
update |
re |
update_re.sh |
calc |
target_rdf |
calc_target_rdf_generic.sh |
pressure_cor |
simple |
pressure_cor_simple.pl |
pressure_cor |
wjk |
pressure_cor_wjk.pl |
compute_lj |
12_6 |
lj_126.pl |
kbibi |
ramp_correction |
kbibi_ramp_correction.pl |
calc |
kbint |
calc_kbint.sh |
table |
add |
add_POT.pl |
table |
integrate |
table_integrate.pl |
table |
extrapolate |
table_extrapolate.pl |
table |
merge |
merge_tables.pl |
table |
smooth |
table_smooth.pl |
table |
smooth_at_cut_off |
table_smooth_at_cut_off.py |
table |
linearop |
table_linearop.pl |
table |
dummy |
table_dummy.sh |
table |
get_value |
table_get_value.pl |
table |
switch_border |
table_switch_border.pl |
table |
compare |
table_combine.pl –die –op = |
table |
combine |
table_combine.pl |
table |
average |
table_average.sh |
table |
scale |
table_scale.pl |
table |
change_flag |
table_change_flag.sh |
table |
functional |
table_functional.sh |
potential |
extrapolate |
potential_extrapolate.sh |
potential |
shift |
potential_shift.pl |
convert_potential |
tab |
table_to_tab.pl |
dist |
adjust |
dist_adjust.pl |
dist |
invert |
dist_boltzmann_invert.pl |
tables |
jackknife |
tables_jackknife.pl |
initstep |
gromacs |
initialize_step_genericsim.sh |
run |
gromacs |
run_gromacs.sh |
clean |
gromacs |
clean_generic.sh |
presimulation |
gromacs |
run_gromacs.sh –pre |
pressure |
gromacs |
calc_pressure_gromacs.sh |
pressure |
lammps |
calc_pressure_lammps.sh |
rdf |
gromacs |
calc_rdf_generic.sh |
imc_stat |
gromacs |
imc_stat_generic.sh |
density |
gromacs |
calc_density_generic.sh |
convert_potential |
gromacs |
potential_to_gromacs.sh |
convert_potentials |
gromacs |
potentials_to_generic.sh |
convert_potential |
xvg |
table_to_xvg.pl |
functions |
gromacs |
functions_gromacs.sh |
initstep |
espresso |
initialize_step_genericsim.sh |
run |
espresso |
run_genericsim.sh |
clean |
espresso |
clean_generic.sh |
rdf |
espresso |
calc_rdf_generic.sh |
imc_stat |
espresso |
imc_stat_generic.sh |
density |
espresso |
calc_density_generic.sh |
convert_potential |
espresso |
potential_to_generic.sh |
convert_potentials |
espresso |
potentials_to_generic.sh |
functions |
espresso |
functions_genericsim.sh |
convert_potential |
lammps |
potential_to_lammps.sh |
convert_potentials |
lammps |
potentials_to_generic.sh |
initstep |
lammps |
initialize_step_genericsim.sh |
run |
lammps |
run_genericsim.sh |
clean |
lammps |
clean_generic.sh |
rdf |
lammps |
calc_rdf_generic.sh |
imc_stat |
lammps |
imc_stat_generic.sh |
density |
lammps |
calc_density_generic.sh |
functions |
lammps |
functions_genericsim.sh |
convert_potential |
espressopp |
potential_to_generic.sh |
convert_potentials |
espressopp |
potentials_to_generic.sh |
initstep |
espressopp |
initialize_step_genericsim.sh |
run |
espressopp |
run_genericsim.sh |
clean |
espressopp |
clean_generic.sh |
rdf |
espressopp |
calc_rdf_generic.sh |
imc_stat |
espressopp |
imc_stat_generic.sh |
density |
espressopp |
calc_density_generic.sh |
functions |
espressopp |
functions_genericsim.sh |
initstep |
dlpoly |
initialize_step_genericsim.sh |
run |
dlpoly |
run_genericsim.sh |
clean |
dlpoly |
clean_generic.sh |
rdf |
dlpoly |
calc_rdf_generic.sh |
imc_stat |
dlpoly |
imc_stat_generic.sh |
density |
dlpoly |
calc_density_generic.sh |
functions |
dlpoly |
functions_dlpoly.sh |
convert_potential |
dlpoly |
potential_to_dlpoly.sh |
convert_potentials |
dlpoly |
potentials_to_dlpoly.sh |
convert_potential |
hoomd-blue |
potential_to_generic.sh |
convert_potentials |
hoomd-blue |
potentials_to_generic.sh |
initstep |
hoomd-blue |
initialize_step_genericsim.sh |
run |
hoomd-blue |
run_genericsim.sh |
clean |
hoomd-blue |
clean_generic.sh |
rdf |
hoomd-blue |
calc_rdf_generic.sh |
imc_stat |
hoomd-blue |
imc_stat_generic.sh |
density |
hoomd-blue |
calc_density_generic.sh |
functions |
hoomd-blue |
functions_genericsim.sh |