Key1

Key2

Scriptname

tag

file

tag_file.sh

dummy

dummy

dummy.sh

functions

common

functions_common.sh

csg

master

inverse.sh

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