nested-fit 5.7.0.dev129__tar.gz → 5.7.1.dev130__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/PKG-INFO +7 -3
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/README.md +6 -2
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK_NO_DB/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK_SYN/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_input/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_no_points_file/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_no_stat/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/latex_func_input/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/legacy_func_input/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/02_error_bars_data/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/DBSCAN-RANDOM_WALK_SYN/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/DBSCAN-SLICE_SAMPLING/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/KNN-RANDOM_WALK_SYN/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/KNN-SLICE_SAMPLING/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/agglomerative-RANDOM_WALK_SYN/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/agglomerative-SLICE_SAMPLING/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/mean-shift-RANDOM_WALK_SYN/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/mean-shift-SLICE_SAMPLING/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/latex_func_input/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/legacy_func_input/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/05_data_2D/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/06_interpolation_function/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/function_integration/07_func_GAUSS/hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/function_integration/07_func_GAUSS/no_hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/function_integration/08_func_EGGBOX/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/LJ17/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/LJ3/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/LJ7/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/LJ7_norm/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_1gauss_bg/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_2gauss_bg/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_3gauss_bg/.ipynb_checkpoints/nf_input-checkpoint.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_3gauss_bg/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_4gauss_bg/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/set_of_datafiles/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/09_ENERGY_HARM_3D/hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/09_ENERGY_HARM_3D/no_hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/10_Q_ENERGY_HARM_3D/hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/10_Q_ENERGY_HARM_3D/no_hard_writing/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercices_ICFO/res_1gauss_bg/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/PKG-INFO +7 -3
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/SOURCES.txt +1 -2
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nf_input.yaml +1 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pyproject.toml +2 -2
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_cluster_analysis.f90 +126 -108
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_covariance_matrix.f90 +14 -8
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_search_new_point.f90 +3 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/nested_fit.f90 +6 -1
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/nested_sampling.f90 +34 -8
- nested_fit-5.7.0.dev129/tmp/.nf_input.yaml.~6ff749be +0 -59
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/.github/dependabot.yml +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/.github/workflows/build_wheels.yml +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/.gitignore +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/CMakeLists.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/LICENSE +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/STEPBYSTEP_INSTALL.md +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/ThirdParty.md +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/benchmarks_and_tests.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/test_01_gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/test_01_gauss_bg/nf_input.yaml +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/test_03_4gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/test_03_4gauss_bg/nf_input.yaml +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/benchmarks_and_tests/test_11_LJ17/nf_input.yaml +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/cmake/resman.cmake +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/cmake/write_manifest.cmake +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/README.md +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK_NO_DB/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/RANDOM_WALK_SYN/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_hard_writing/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_input/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_no_points_file/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/internal_func_no_stat/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/latex_func_input/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/01_simple_example/legacy_func_input/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/02_error_bars_data/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/02_error_bars_data/eb_gauss_bg-x0_300-sigma_20-A_20000-p_to_bg_0.05-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/DBSCAN-RANDOM_WALK_SYN/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/DBSCAN-SLICE_SAMPLING/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/KNN-RANDOM_WALK_SYN/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/KNN-SLICE_SAMPLING/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/agglomerative-RANDOM_WALK_SYN/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/agglomerative-SLICE_SAMPLING/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/mean-shift-RANDOM_WALK_SYN/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/03_with_cluster_analysis/mean-shift-SLICE_SAMPLING/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/latex_func_input/gauss_bg-x0_300-sigma_20-A_300-p_to_bg_20-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/latex_func_input/gauss_bg-x0_310-sigma_20-A_150-p_to_bg_10-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/legacy_func_input/gauss_bg-x0_300-sigma_20-A_300-p_to_bg_20-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/04_set_of_datafiles/legacy_func_input/gauss_bg-x0_310-sigma_20-A_150-p_to_bg_10-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/05_data_2D/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/05_data_2D/test_matrix.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/06_interpolation_function/ginterp.csv +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/06_interpolation_function/interp.csv +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/06_interpolation_function/pynf_interp.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/.ipynb_checkpoints/pandas_extended_analysis-checkpoint.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/.ipynb_checkpoints/simple_analysis_visu-checkpoint.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/exploring_potentials.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/pandas_extended_analysis.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/pynf_interp.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/quick_start_with_google_colab.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_1gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_2gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_3gauss_bg/.ipynb_checkpoints/he-histo-checkpoint.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_3gauss_bg/.ipynb_checkpoints/nf_input-checkpoint.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_3gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/res_4gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/set_of_datafiles/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/set_of_datafiles/gauss_bg-x0_300-sigma_20-A_300-p_to_bg_20-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/set_of_datafiles/gauss_bg-x0_310-sigma_20-A_150-p_to_bg_10-bin_1.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/set_of_files_analysis.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/simple_analysis_visu.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/jupyter_notebooks/simple_visualisation.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/native_functions/example.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/native_functions/example.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/09_ENERGY_HARM_3D/hard_writing/nf_energy.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/potential_exploration/09_ENERGY_HARM_3D/no_hard_writing/nf_energy.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/.DS_Store +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercices_ICFO/ICFO2024_nested_fit_tutorial.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercices_ICFO/res_1gauss_bg/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/exercises_quantitative_xray_spectroscopy.ipynb +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/with_U_1000_counts/c_U_1000_counts.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/with_U_100s/c_U_100s.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/with_U_1s/c_U_1s.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/with_U_1s/nf_input.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/without_U_100k_counts/s_U_100000_counts.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/without_U_1M_counts/nf_input.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/exercises_QXRA/without_U_1M_counts/s_U_1000000_counts.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise1_piN_sampling/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise1_piN_sampling/nf_input.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise1_piN_sampling/piN-sum.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise2_pN_evidence/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise2_pN_evidence/nf_input.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise2_pN_evidence/piN-sum.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise2_pN_evidence/results_2000lp.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise3_He-like_U_from_scratch/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise3_He-like_U_from_scratch/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise4_He-like_U_clusters/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise4_He-like_U_clusters/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise4_He-like_U_clusters/nf_input.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise5_He-like_U_search_and_clusters_methods/README.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/exercises/old_exercices/exercise5_He-like_U_search_and_clusters_methods/he-histo.dat +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/install.sh +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/dependency_links.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/entry_points.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/requires.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/nested_fit.egg-info/top_level.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/__init__.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/cliw.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/evaluator.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/metadata.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/nested_res.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/nested_run.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/utils.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/__init__.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/bar.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/errorui.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/hfinder.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/plot.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/timer.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/pynested_fit/widgets/var.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/setup.cfg +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/setup.py +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/curfit.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpback.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpbspl.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpchec.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpcurf.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpdisc.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpgivs.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fpknot.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fprati.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/fprota.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/DIERCKX/splev.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Makefile +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_array_tries.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_input_parse.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_integrated_func.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_interpolate.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_jsonio.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_likelihood.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_likelihood_gen.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_logger.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_math.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_metadata.f90.in +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_options.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_parameters.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_perfprof.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_potentials.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_timestamp.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/Mod_userfcn.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/dpsort.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/fdump.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/i1mach.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/j4save.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xercnt.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xerhlt.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xermsg.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xerprn.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xersve.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/SLATEC/xgetua.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/USERFCN.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/USERFCN_2D.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/USERFCN_SET.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/cli/argparse.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/funceval/auto_func.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/funceval/latex_parser.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/funceval/native_parser.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/functions/WOFZ.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/functions/internal.tex +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/functions/internal_funcs.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/console.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/halt.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/hash.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/int_stack.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/resman.cpp.in +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/rmhex.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/strutil.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/helper/utils.cpp +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/init_interpolation.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/rinteg.f +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/src/shirley_fitpack.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/test/CMakeLists.txt +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/test/README.md +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/test/str.f90 +0 -0
- {nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/test/test.f90 +0 -0
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.4
|
|
2
2
|
Name: nested_fit
|
|
3
|
-
Version: 5.7.
|
|
3
|
+
Version: 5.7.1.dev130
|
|
4
4
|
Summary: The nested_fit package.
|
|
5
5
|
Author: Martino Trassinelli, Lune Maillard, César Godinho
|
|
6
6
|
Project-URL: Homepage, https://github.com/martinit18/nested_fit
|
|
@@ -225,7 +225,7 @@ A complete selection of input files example is given in the folder `examples` wh
|
|
|
225
225
|
It follows a complete description of `nf_input.yaml` file.
|
|
226
226
|
|
|
227
227
|
```yaml
|
|
228
|
-
version: 5.
|
|
228
|
+
version: 5.7 # Program version
|
|
229
229
|
calculation_mode: DATA # Type of calculation
|
|
230
230
|
```
|
|
231
231
|
The type of calculation is spefified by `calculation_mode` variable.
|
|
@@ -446,7 +446,7 @@ Examples of use of a legacy function can be found in `examples/data_analysis/aaa
|
|
|
446
446
|
|
|
447
447
|
## Present version and history of the past versions
|
|
448
448
|
|
|
449
|
-
The present version is 5.7.
|
|
449
|
+
The present version is 5.7.1\
|
|
450
450
|
New features:
|
|
451
451
|
- Asynchronous parallel search of new points: each thread adds its new point to the main loop without waiting for the search of the other threads.
|
|
452
452
|
This strongly improves the parallel efficiency when the search time of new points is very variable (e.g. Lennard-Jones clusters)
|
|
@@ -455,6 +455,10 @@ This strongly improves the parallel efficiency when the search time of new point
|
|
|
455
455
|
- Cluster analysis using all threads also when called during the parallel search
|
|
456
456
|
- Bug fixes: periodic cluster analysis with slice sampling now performed, exit flags reset between tries, maximum number of steps checked also with suppressed output
|
|
457
457
|
- New Lennard-Jones benchmark (17 atoms) in the benchmark notebook
|
|
458
|
+
- Faster KNN cluster analysis (same clusters, 15-25 times faster): incremental search of the nearest neighbours, union-find merging of the clusters and parallel computation
|
|
459
|
+
- Parallel calculation of the covariance matrix (used by slice sampling)
|
|
460
|
+
- Binary search (bisection) for placing the new live point among the sorted live points
|
|
461
|
+
- Bug fix: possible crash when a cluster analysis is performed during the parallel search of new points
|
|
458
462
|
|
|
459
463
|
|
|
460
464
|
Previous versions are:
|
|
@@ -200,7 +200,7 @@ A complete selection of input files example is given in the folder `examples` wh
|
|
|
200
200
|
It follows a complete description of `nf_input.yaml` file.
|
|
201
201
|
|
|
202
202
|
```yaml
|
|
203
|
-
version: 5.
|
|
203
|
+
version: 5.7 # Program version
|
|
204
204
|
calculation_mode: DATA # Type of calculation
|
|
205
205
|
```
|
|
206
206
|
The type of calculation is spefified by `calculation_mode` variable.
|
|
@@ -421,7 +421,7 @@ Examples of use of a legacy function can be found in `examples/data_analysis/aaa
|
|
|
421
421
|
|
|
422
422
|
## Present version and history of the past versions
|
|
423
423
|
|
|
424
|
-
The present version is 5.7.
|
|
424
|
+
The present version is 5.7.1\
|
|
425
425
|
New features:
|
|
426
426
|
- Asynchronous parallel search of new points: each thread adds its new point to the main loop without waiting for the search of the other threads.
|
|
427
427
|
This strongly improves the parallel efficiency when the search time of new points is very variable (e.g. Lennard-Jones clusters)
|
|
@@ -430,6 +430,10 @@ This strongly improves the parallel efficiency when the search time of new point
|
|
|
430
430
|
- Cluster analysis using all threads also when called during the parallel search
|
|
431
431
|
- Bug fixes: periodic cluster analysis with slice sampling now performed, exit flags reset between tries, maximum number of steps checked also with suppressed output
|
|
432
432
|
- New Lennard-Jones benchmark (17 atoms) in the benchmark notebook
|
|
433
|
+
- Faster KNN cluster analysis (same clusters, 15-25 times faster): incremental search of the nearest neighbours, union-find merging of the clusters and parallel computation
|
|
434
|
+
- Parallel calculation of the covariance matrix (used by slice sampling)
|
|
435
|
+
- Binary search (bisection) for placing the new live point among the sorted live points
|
|
436
|
+
- Bug fix: possible crash when a cluster analysis is performed during the parallel search of new points
|
|
433
437
|
|
|
434
438
|
|
|
435
439
|
Previous versions are:
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: he-histo.dat # Name of the data file
|
|
4
4
|
specstr: x,c # Datafile layout
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: eb_gauss_bg-x0_300-sigma_20-A_20000-p_to_bg_0.05-bin_1.dat
|
|
4
4
|
#specstr: x,c,ce
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: gauss_bg-x0_300-sigma_20-A_300-p_to_bg_20-bin_1.dat, gauss_bg-x0_310-sigma_20-A_150-p_to_bg_10-bin_1.dat
|
|
4
4
|
filefmt: .tsv
|
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: gauss_bg-x0_300-sigma_20-A_300-p_to_bg_20-bin_1.dat, gauss_bg-x0_310-sigma_20-A_150-p_to_bg_10-bin_1.dat
|
|
4
4
|
filefmt: .tsv
|
{nested_fit-5.7.0.dev129 → nested_fit-5.7.1.dev130}/examples/data_analysis/05_data_2D/nf_input.yaml
RENAMED
|
@@ -1,4 +1,4 @@
|
|
|
1
|
-
version: 5.
|
|
1
|
+
version: 5.7 # Program version
|
|
2
2
|
calculation_mode: DATA # Type of calculation (DATA for data, POTENTIAL for potential landscapes, INTEGRAL for function integrals)
|
|
3
3
|
datafiles: test_matrix.dat # Name of the data file
|
|
4
4
|
specstr: img # Datafile layout
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.4
|
|
2
2
|
Name: nested_fit
|
|
3
|
-
Version: 5.7.
|
|
3
|
+
Version: 5.7.1.dev130
|
|
4
4
|
Summary: The nested_fit package.
|
|
5
5
|
Author: Martino Trassinelli, Lune Maillard, César Godinho
|
|
6
6
|
Project-URL: Homepage, https://github.com/martinit18/nested_fit
|
|
@@ -225,7 +225,7 @@ A complete selection of input files example is given in the folder `examples` wh
|
|
|
225
225
|
It follows a complete description of `nf_input.yaml` file.
|
|
226
226
|
|
|
227
227
|
```yaml
|
|
228
|
-
version: 5.
|
|
228
|
+
version: 5.7 # Program version
|
|
229
229
|
calculation_mode: DATA # Type of calculation
|
|
230
230
|
```
|
|
231
231
|
The type of calculation is spefified by `calculation_mode` variable.
|
|
@@ -446,7 +446,7 @@ Examples of use of a legacy function can be found in `examples/data_analysis/aaa
|
|
|
446
446
|
|
|
447
447
|
## Present version and history of the past versions
|
|
448
448
|
|
|
449
|
-
The present version is 5.7.
|
|
449
|
+
The present version is 5.7.1\
|
|
450
450
|
New features:
|
|
451
451
|
- Asynchronous parallel search of new points: each thread adds its new point to the main loop without waiting for the search of the other threads.
|
|
452
452
|
This strongly improves the parallel efficiency when the search time of new points is very variable (e.g. Lennard-Jones clusters)
|
|
@@ -455,6 +455,10 @@ This strongly improves the parallel efficiency when the search time of new point
|
|
|
455
455
|
- Cluster analysis using all threads also when called during the parallel search
|
|
456
456
|
- Bug fixes: periodic cluster analysis with slice sampling now performed, exit flags reset between tries, maximum number of steps checked also with suppressed output
|
|
457
457
|
- New Lennard-Jones benchmark (17 atoms) in the benchmark notebook
|
|
458
|
+
- Faster KNN cluster analysis (same clusters, 15-25 times faster): incremental search of the nearest neighbours, union-find merging of the clusters and parallel computation
|
|
459
|
+
- Parallel calculation of the covariance matrix (used by slice sampling)
|
|
460
|
+
- Binary search (bisection) for placing the new live point among the sorted live points
|
|
461
|
+
- Bug fix: possible crash when a cluster analysis is performed during the parallel search of new points
|
|
458
462
|
|
|
459
463
|
|
|
460
464
|
Previous versions are:
|
|
@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
|
|
|
4
4
|
|
|
5
5
|
[project]
|
|
6
6
|
name = "nested_fit"
|
|
7
|
-
version = "5.7.
|
|
7
|
+
version = "5.7.1.dev130"
|
|
8
8
|
description = "The nested_fit package."
|
|
9
9
|
readme = "README.md"
|
|
10
10
|
|
|
@@ -65,7 +65,7 @@ archs = ["x86_64", "arm64"]
|
|
|
65
65
|
archs = ["x86_64"]
|
|
66
66
|
|
|
67
67
|
[tool.setuptools_scm]
|
|
68
|
-
fallback_version = "5.7.
|
|
68
|
+
fallback_version = "5.7.1.dev130"
|
|
69
69
|
|
|
70
70
|
[options]
|
|
71
71
|
python_requires = ">=3.8"
|