Fedora 41 updates for x86_64 : / usr /share /votca /scripts /inverse

• CsgFunctions.pm
• CsgSimplex.pm
• add_POT.pl
• add_pot_generic.sh
• calc_density_generic.sh
• calc_kbint.sh
• calc_pressure_gromacs.sh
• calc_pressure_lammps.sh
• calc_rdf_generic.sh
• calc_target_rdf_generic.sh
• check_csg_xml.py
• clean_generic.sh
• cma_processor.py
• convergence_check_default.sh
• csg_table
• dist_adjust.pl
• dist_boltzmann_invert.pl
• dummy.sh
• functions_common.sh
• functions_dlpoly.sh
• functions_genericsim.sh
• functions_gromacs.sh
• iie.py
• imc_stat_generic.sh
• initialize_step_generic.sh
• initialize_step_genericsim.sh
• initialize_step_optimizer.sh
• initialize_step_re.sh
• inverse.sh
• kbibi_ramp_correction.pl
• lj_126.pl
• merge_tables.pl
• optimizer_parameters_to_potential.sh
• optimizer_prepare_state.sh
• optimizer_state_to_mapping.sh
• optimizer_state_to_potentials.sh
• optimizer_target_density.sh
• optimizer_target_pressure.sh
• optimizer_target_rdf.sh
• post_add.sh
• post_add_single.sh
• post_update_generic.sh
• post_update_generic_single.sh
• post_update_re_single.sh
• postadd_acc_convergence.sh
• postadd_average.sh
• postadd_compress.sh
• postadd_convergence.sh
• postadd_copyback.sh
• postadd_dummy.sh
• postadd_overwrite.sh
• postadd_plot.sh
• postadd_shift.sh
• postadd_smooth_at_cut_off.sh
• postupd_addlj.sh
• postupd_cibi_correction.sh
• postupd_extrapolate.sh
• postupd_ibi.sh
• postupd_kbibi_correction.sh
• postupd_pressure.sh
• postupd_scale.sh
• postupd_smooth.sh
• postupd_splinesmooth.sh
• potential_extrapolate.sh
• potential_shift.pl
• potential_to_dlpoly.sh
• potential_to_generic.sh
• potential_to_gromacs.sh
• potential_to_lammps.sh
• potentials_to_dlpoly.sh
• potentials_to_generic.sh
• pre_update_re.sh
• prepare_generic.sh
• prepare_generic_single.sh
• prepare_iie.sh
• prepare_imc.sh
• prepare_optimizer.sh
• prepare_optimizer_single.sh
• prepare_re.sh
• pressure_cor_simple.pl
• pressure_cor_wjk.pl
• resample_target.sh
• run_genericsim.sh
• run_gromacs.sh
• simplex_downhill_processor.pl
• skeleton.pl
• skeleton.sh
• start_framework.sh
• table_average.sh
• table_change_flag.sh
• table_combine.pl
• table_dummy.sh
• table_extrapolate.pl
• table_functional.sh
• table_get_value.pl
• table_integrate.pl
• table_linearop.pl
• table_scale.pl
• table_smooth.pl
• table_smooth_at_cut_off.py
• table_switch_border.pl
• table_to_tab.pl
• table_to_xvg.pl
• tables_jackknife.pl
• tag_file.sh
• update_ibi.sh
• update_ibi_pot.pl
• update_ibi_single.sh
• update_iie.sh
• update_imc.sh
• update_imc_single.sh
• update_optimizer.sh
• update_optimizer_single.sh
• update_re.sh

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Fabrice Bellet, Fri Nov 1 05:43:04 2024