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update rydstate #27

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8d54692
undo me USE_PYSPY
johannes-moegerle Aug 25, 2026
cb9dd8f
update rydstate
johannes-moegerle Aug 20, 2026
2fcc874
update rydstate
johannes-moegerle Aug 25, 2026
c637f03
update rydstate
johannes-moegerle Aug 25, 2026
beee030
update rydstate
johannes-moegerle Aug 25, 2026
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2 changes: 1 addition & 1 deletion .github/workflows/generate_database.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ on:

env:
# set to "true" to run generate_database with profiling it via py-spy
USE_PYSPY: "false"
USE_PYSPY: "true"

jobs:
run-generate-database:
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2 changes: 1 addition & 1 deletion RydState
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Submodule RydState updated 99 files
+1 −1 .github/workflows/documentation.yml
+1 −1 .github/workflows/pre_commit.yml
+1 −1 .github/workflows/publish.yml
+2 −2 .pre-commit-config.yaml
+1 −1 docs/conf.py
+3 −1 docs/examples.rst
+0 −80 docs/examples/comparisons/compare_model_potentials.ipynb
+2 −2 docs/examples/comparisons/compare_nist_energy_levels_data.ipynb
+587 −0 docs/examples/comparisons/compare_nist_matrix_elements.ipynb
+290 −0 docs/examples/comparisons/compare_nist_matrix_elements_Sr88_sqdt.ipynb
+5 −5 docs/examples/lifetimes.ipynb
+10 −31 docs/examples/mqdt/mqdt_exp_qn.ipynb
+2 −2 docs/examples/radial/hydrogen_wavefunction.ipynb
+5 −5 docs/examples/radial/rubidium_wavefunction.ipynb
+1 −1 pyproject.toml
+137 −68 src/rydstate/angular/angular_ket.py
+22 −25 src/rydstate/angular/angular_state.py
+23 −6 src/rydstate/angular/core_ket.py
+106 −1 src/rydstate/angular/utils.py
+63 −40 src/rydstate/basis/basis_base.py
+53 −43 src/rydstate/basis/basis_mqdt.py
+7 −6 src/rydstate/basis/basis_sqdt.py
+3 −3 src/rydstate/generate_database/generate_matrix_elements_table.py
+9 −3 src/rydstate/generate_database/generate_misc_table.py
+18 −16 src/rydstate/generate_database/generate_states_table.py
+4 −1 src/rydstate/radial/__init__.py
+297 −0 src/rydstate/radial/radial_base.py
+84 −169 src/rydstate/radial/radial_ket.py
+74 −38 src/rydstate/radial/radial_matrix_element.py
+2 −2 src/rydstate/rydberg_state/__init__.py
+197 −56 src/rydstate/rydberg_state/rydberg_base.py
+339 −62 src/rydstate/rydberg_state/rydberg_ket.py
+38 −33 src/rydstate/rydberg_state/rydberg_mqdt.py
+41 −18 src/rydstate/rydberg_state/rydberg_sqdt.py
+14 −3 src/rydstate/species/__init__.py
+3 −0 src/rydstate/species/cesium/element_properties_data.py
+1 −1 src/rydstate/species/cesium/potential_data.py
+1 −0 src/rydstate/species/cesium/sqdt_data.py
+49 −1 src/rydstate/species/element_properties.py
+36 −48 src/rydstate/species/fmodel.py
+0 −6 src/rydstate/species/hydrogen/sqdt_data.py
+3 −0 src/rydstate/species/lithium/element_properties_data.py
+1 −1 src/rydstate/species/lithium/potential_data.py
+1 −0 src/rydstate/species/lithium/sqdt_data.py
+17 −3 src/rydstate/species/mqdt.py
+144 −0 src/rydstate/species/nist.py
+3 −0 src/rydstate/species/potassium/element_properties_data.py
+1 −1 src/rydstate/species/potassium/potential_data.py
+1 −0 src/rydstate/species/potassium/sqdt_data.py
+26 −51 src/rydstate/species/potential.py
+3 −0 src/rydstate/species/rubidium/element_properties_data.py
+1 −1 src/rydstate/species/rubidium/potential_data.py
+1 −0 src/rydstate/species/rubidium/sqdt_data.py
+3 −0 src/rydstate/species/sodium/element_properties_data.py
+1 −1 src/rydstate/species/sodium/potential_data.py
+1 −0 src/rydstate/species/sodium/sqdt_data.py
+14 −108 src/rydstate/species/sqdt.py
+0 −4 src/rydstate/species/strontium/__init__.py
+3 −3 src/rydstate/species/strontium/element_properties_data.py
+3 −3 src/rydstate/species/strontium/mqdt_data.py
+1 −22 src/rydstate/species/strontium/potential_data.py
+1 −0 src/rydstate/species/strontium/sqdt_data.py
+0 −12 src/rydstate/species/strontium/sr87_mqdt_fmodel_data.py
+0 −10 src/rydstate/species/strontium/sr88_mqdt_fmodel_data.py
+22 −0 src/rydstate/species/strontium_ion/__init__.py
+42 −0 src/rydstate/species/strontium_ion/element_properties_data.py
+73 −0 src/rydstate/species/strontium_ion/nist_data.txt
+38 −0 src/rydstate/species/strontium_ion/potential_data.py
+23 −0 src/rydstate/species/strontium_ion/sqdt_data.py
+14 −35 src/rydstate/species/utils.py
+5 −4 src/rydstate/species/ytterbium/element_properties_data.py
+22 −16 src/rydstate/species/ytterbium/mqdt_data.py
+1 −0 src/rydstate/species/ytterbium/sqdt_data.py
+8 −96 src/rydstate/species/ytterbium/yb171_mqdt_fmodel_data.py
+3 −18 src/rydstate/species/ytterbium/yb173_mqdt_fmodel_data.py
+2 −27 src/rydstate/species/ytterbium/yb174_mqdt_fmodel_data.py
+23 −0 src/rydstate/species/ytterbium_ion/__init__.py
+53 −0 src/rydstate/species/ytterbium_ion/element_properties_data.py
+350 −0 src/rydstate/species/ytterbium_ion/nist_data.txt
+16 −0 src/rydstate/species/ytterbium_ion/potential_data.py
+27 −0 src/rydstate/species/ytterbium_ion/sqdt_data.py
+4 −0 src/rydstate/units.py
+19 −0 tests/conftest.py
+2 −0 tests/test_all_elements.py
+78 −32 tests/test_angular_matrix_elements.py
+70 −0 tests/test_angular_utils.py
+28 −10 tests/test_basis.py
+26 −9 tests/test_basis_mqdt.py
+112 −0 tests/test_core_ket.py
+18 −9 tests/test_free_memory.py
+1 −1 tests/test_generate_database.py
+82 −0 tests/test_ion.py
+288 −0 tests/test_labels.py
+95 −8 tests/test_mqdt_models.py
+147 −0 tests/test_mqdt_references.py
+1 −9 tests/test_potential.py
+237 −0 tests/test_radial_base.py
+36 −12 tests/test_rydberg_state_mqdt.py
+149 −0 tests/test_to_coupling_scheme.py
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