inverse - OpenGrok cross reference for /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/share/scripts/inverse/

Name		Date	Size	#Lines	LOC
..		19-Sep-2021	-
CsgFunctions.pm	H A D	19-Sep-2021	5.5 KiB	147	114
CsgSimplex.pm	H A D	19-Sep-2021	9 KiB	255	217
add_POT.pl	H A D	03-May-2022	2.5 KiB	88	43
add_pot_generic.sh	H A D	03-May-2022	996	31	11
calc_density_generic.sh	H A D	03-May-2022	2.5 KiB	73	43
calc_kbint.sh	H A D	03-May-2022	1.5 KiB	59	33
calc_pressure_gromacs.sh	H A D	03-May-2022	2.6 KiB	65	32
calc_pressure_lammps.sh	H A D	03-May-2022	1.2 KiB	38	14
calc_rdf_generic.sh	H A D	03-May-2022	4.9 KiB	141	101
calc_target_rdf_generic.sh	H A D	03-May-2022	2 KiB	53	28
clean_generic.sh	H A D	03-May-2022	985	34	13
cma_processor.py	H A D	03-May-2022	4.7 KiB	133	97
convergence_check_default.sh	H A D	03-May-2022	1.4 KiB	45	23
csg_table	H A D	19-Sep-2021	8.4 KiB	289	238
dist_adjust.pl	H A D	03-May-2022	2 KiB	82	52
dist_boltzmann_invert.pl	H A D	03-May-2022	4 KiB	151	112
dummy.sh	H A D	03-May-2022	822	29	9
functions_common.sh	H A D	03-May-2022	35.5 KiB	934	808
functions_dlpoly.sh	H A D	03-May-2022	2 KiB	62	39
functions_genericsim.sh	H A D	03-May-2022	1.5 KiB	49	26
functions_gromacs.sh	H A D	03-May-2022	4.8 KiB	134	98
iie.py	H A D	03-May-2022	41.5 KiB	1,124	838
imc_stat_generic.sh	H A D	03-May-2022	2.4 KiB	64	36
initialize_step_generic.sh	H A D	03-May-2022	1.1 KiB	35	11
initialize_step_genericsim.sh	H A D	03-May-2022	2.1 KiB	54	31
initialize_step_optimizer.sh	H A D	03-May-2022	1.3 KiB	41	16
initialize_step_re.sh	H A D	03-May-2022	1.4 KiB	38	12
inverse.sh	H A D	03-May-2022	10.1 KiB	323	246
kbibi_ramp_correction.pl	H A D	03-May-2022	3.3 KiB	112	77
lj_126.pl	H A D	03-May-2022	1.6 KiB	58	34
merge_tables.pl	H A D	03-May-2022	3.3 KiB	140	98
optimizer_parameters_to_potential.sh	H A D	03-May-2022	2 KiB	54	29
optimizer_prepare_state.sh	H A D	03-May-2022	1.9 KiB	58	32
optimizer_state_to_mapping.sh	H A D	03-May-2022	2.1 KiB	56	30
optimizer_state_to_potentials.sh	H A D	03-May-2022	1.4 KiB	41	18
optimizer_target_density.sh	H A D	03-May-2022	2.1 KiB	52	27
optimizer_target_pressure.sh	H A D	03-May-2022	1.6 KiB	47	22
optimizer_target_rdf.sh	H A D	03-May-2022	2.4 KiB	58	37
post_add.sh	H A D	03-May-2022	842	30	9
post_add_single.sh	H A D	03-May-2022	1.6 KiB	55	24
post_update_generic.sh	H A D	03-May-2022	937	33	11
post_update_generic_single.sh	H A D	03-May-2022	1.6 KiB	54	24
post_update_re_single.sh	H A D	03-May-2022	1.4 KiB	49	20
postadd_acc_convergence.sh	H A D	03-May-2022	1.2 KiB	44	20
postadd_average.sh	H A D	03-May-2022	2.7 KiB	75	40
postadd_compress.sh	H A D	03-May-2022	1.3 KiB	37	17
postadd_convergence.sh	H A D	03-May-2022	4.4 KiB	111	69
postadd_copyback.sh	H A D	03-May-2022	978	31	11
postadd_dummy.sh	H A D	03-May-2022	983	35	12
postadd_overwrite.sh	H A D	03-May-2022	1.8 KiB	55	26
postadd_plot.sh	H A D	03-May-2022	2.9 KiB	79	50
postadd_shift.sh	H A D	03-May-2022	1 KiB	34	12
postadd_smooth_at_cut_off.sh	H A D	03-May-2022	1.2 KiB	41	17
postupd_addlj.sh	H A D	03-May-2022	1.6 KiB	48	23
postupd_cibi_correction.sh	H A D	03-May-2022	3.5 KiB	81	56
postupd_extrapolate.sh	H A D	03-May-2022	1.3 KiB	40	15
postupd_ibi.sh	H A D	03-May-2022	2.2 KiB	56	32
postupd_kbibi_correction.sh	H A D	03-May-2022	4.5 KiB	87	62
postupd_pressure.sh	H A D	03-May-2022	3.6 KiB	78	51
postupd_scale.sh	H A D	03-May-2022	1.1 KiB	39	14
postupd_smooth.sh	H A D	03-May-2022	1.3 KiB	44	19
postupd_splinesmooth.sh	H A D	03-May-2022	1.5 KiB	47	21
potential_extrapolate.sh	H A D	03-May-2022	3.8 KiB	106	74
potential_shift.pl	H A D	03-May-2022	2.7 KiB	100	65
potential_to_dlpoly.sh	H A D	03-May-2022	5 KiB	126	88
potential_to_generic.sh	H A D	03-May-2022	3 KiB	71	43
potential_to_gromacs.sh	H A D	03-May-2022	5.3 KiB	161	121
potential_to_lammps.sh	H A D	03-May-2022	5.2 KiB	153	112
potentials_to_dlpoly.sh	H A D	03-May-2022	976	29	9
potentials_to_generic.sh	H A D	03-May-2022	1.1 KiB	31	10
pre_update_re.sh	H A D	03-May-2022	1 KiB	33	10
prepare_generic.sh	H A D	03-May-2022	1.9 KiB	49	26
prepare_generic_single.sh	H A D	03-May-2022	4 KiB	124	93
prepare_iie.sh	H A D	03-May-2022	3.6 KiB	98	64
prepare_imc.sh	H A D	03-May-2022	1.6 KiB	49	27
prepare_optimizer.sh	H A D	03-May-2022	1.3 KiB	38	15
prepare_optimizer_single.sh	H A D	03-May-2022	2.2 KiB	63	38
prepare_re.sh	H A D	03-May-2022	1.5 KiB	41	13
pressure_cor_simple.pl	H A D	03-May-2022	2 KiB	74	43
pressure_cor_wjk.pl	H A D	03-May-2022	2.8 KiB	107	66
resample_target.sh	H A D	03-May-2022	2.1 KiB	53	32
run_genericsim.sh	H A D	03-May-2022	2.3 KiB	63	34
run_gromacs.sh	H A D	03-May-2022	10.3 KiB	216	146
simplex_downhill_processor.pl	H A D	03-May-2022	5.3 KiB	139	112
skeleton.pl	H A D	03-May-2022	1 KiB	38	16
skeleton.sh	H A D	03-May-2022	926	32	12
start_framework.sh	H A D	03-May-2022	2.3 KiB	54	25
table_average.sh	H A D	03-May-2022	3.3 KiB	127	97
table_change_flag.sh	H A D	03-May-2022	960	32	11
table_combine.pl	H A D	03-May-2022	5.4 KiB	196	158
table_dummy.sh	H A D	03-May-2022	2.2 KiB	79	53
table_extrapolate.pl	H A D	03-May-2022	6.6 KiB	278	205
table_functional.sh	H A D	03-May-2022	3.9 KiB	136	103
table_get_value.pl	H A D	03-May-2022	1.9 KiB	82	51
table_integrate.pl	H A D	03-May-2022	5.1 KiB	184	137
table_linearop.pl	H A D	03-May-2022	3.2 KiB	125	90
table_scale.pl	H A D	03-May-2022	2.1 KiB	79	47
table_smooth.pl	H A D	03-May-2022	1.7 KiB	66	34
table_smooth_at_cut_off.py	H A D	03-May-2022	2.4 KiB	72	42
table_switch_border.pl	H A D	03-May-2022	1.8 KiB	71	36
table_to_tab.pl	H A D	03-May-2022	5.8 KiB	171	126
table_to_xvg.pl	H A D	03-May-2022	3.8 KiB	146	105
tables_jackknife.pl	H A D	03-May-2022	2.2 KiB	83	47
tag_file.sh	H A D	03-May-2022	1.2 KiB	41	17
update_ibi.sh	H A D	03-May-2022	1.1 KiB	33	11
update_ibi_pot.pl	H A D	03-May-2022	3.3 KiB	122	84
update_ibi_single.sh	H A D	03-May-2022	1.8 KiB	50	28
update_iie.sh	H A D	03-May-2022	4.4 KiB	112	77
update_imc.sh	H A D	03-May-2022	1.7 KiB	49	26
update_imc_single.sh	H A D	03-May-2022	2 KiB	55	33
update_optimizer.sh	H A D	03-May-2022	2.8 KiB	69	41
update_optimizer_single.sh	H A D	03-May-2022	1.8 KiB	50	28
update_re.sh	H A D	03-May-2022	2.5 KiB	66	38