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Merged
johannes-moegerle merged 4 commits into from
Feb 5, 2026
Merged

Small updates and improvements #19

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a97f815
[submodule] update RydState
johannes-moegerle Jan 22, 2026
bd74269
improve logging
johannes-moegerle Jan 22, 2026
9a1d7f7
fix ci on main
johannes-moegerle Jan 22, 2026
bcb4d4a
dont run ci on pr and all branches
johannes-moegerle Jan 22, 2026
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6 changes: 3 additions & 3 deletions .github/workflows/generate_database.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ name: Generate Databases

on:
push:
branches: ["*"]
branches: ["main"]
tags: ["v*.*"]
pull_request:
types: [opened, reopened, synchronize]
Expand All @@ -15,8 +15,8 @@ jobs:
species: [misc, H, Li, Na, K, Rb, Cs, Sr88_sqdt]
include:
- extra_args: "--warnings-as-exceptions"
# use n_max=220 for tags and master, but only n_max=100 for PRs, etc.
- n_max: ${{ (startsWith(github.ref, 'refs/tags/') || contains(github.ref, 'master')) && 220 || 100 }}
# use n_max=220 for tags and main, but only n_max=100 for PRs, etc.
- n_max: ${{ (startsWith(github.ref, 'refs/tags/') || contains(github.ref, 'main')) && 220 || 100 }}
- species: Sr88_sqdt
extra_args: "" # no warnings as exceptions, due to bad convergence
name: ${{ matrix.species }}
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2 changes: 1 addition & 1 deletion RydState
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Submodule RydState updated 24 files
+5 −5 .github/workflows/documentation.yml
+2 −2 .github/workflows/pre_commit.yml
+1 −1 .github/workflows/publish.yml
+3 −3 .github/workflows/python_wheel.yml
+6 −1 .github/workflows/testing.yml
+1 −1 .github/workflows/type_checking.yml
+0 −3 docs/examples.rst
+0 −58 docs/examples/comparisons/arc_fixed.py
+0 −229 docs/examples/comparisons/compare_dipole_matrix_element.ipynb
+0 −193 docs/examples/comparisons/compare_radial_matrix_element.ipynb
+0 −181 docs/examples/comparisons/compare_wavefunctions.ipynb
+7 −42 docs/examples/comparisons/compare_z_min_cutoff.ipynb
+1 −4 pyproject.toml
+3 −2 src/rydstate/__init__.py
+3 −1 src/rydstate/angular/angular_ket.py
+3 −2 src/rydstate/angular/angular_state.py
+2 −2 src/rydstate/angular/utils.py
+2 −1 src/rydstate/radial/radial_matrix_element.py
+21 −4 src/rydstate/radial/radial_state.py
+2 −1 src/rydstate/radial/wavefunction.py
+87 −4 src/rydstate/rydberg_state.py
+6 −1 src/rydstate/species/species_object.py
+27 −16 src/rydstate/species/strontium.py
+40 −0 src/rydstate/species/ytterbium.py
6 changes: 6 additions & 0 deletions src/generate_database_sqdt/main.py
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Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,9 @@
from generate_database_sqdt import __version__, database_sql_file
from generate_database_sqdt.generate_misc import create_tables_for_misc
from generate_database_sqdt.utils import (
_calc_radial_matrix_element_cached,
calc_matrix_element_one_pair,
calc_reduced_angular_matrix_element_cached,
get_radial_state_cached,
get_sorted_list_of_states,
)
Expand Down Expand Up @@ -182,6 +184,10 @@ def create_tables_for_one_species(
table.info(buf=buf)

logger.info("get_radial_state_cached: %s", get_radial_state_cached.cache_info())
logger.info(
"calc_reduced_angular_matrix_element_cached: %s", calc_reduced_angular_matrix_element_cached.cache_info()
)
logger.info("_calc_radial_matrix_element_cached: %s", _calc_radial_matrix_element_cached.cache_info())


def populate_states_table(
Expand Down