R2.0.0-pre#92

Merged

pkienzle merged 83 commits intomasterfrom

Dec 5, 2024

Commits on Feb 13, 2024

restore exception raised when 'b' mode production activity produces negative values
Paul Kienzle
committed
check activation calculation completes for all elements
Paul Kienzle
committed
Nicer error message for trans-uranic xray sld failure. Refs #56
Paul Kienzle
committed
`scattering` already returns None if not self.has_sld

jfkcooper
authored and
Paul Kienzle
committed
Use older ubuntu to test python 2.7 and 3.6
Paul Kienzle
committed
Drop tests for python below 3.8
Paul Kienzle
committed
Allow wt%/vol% in addition to %wt/%vol
Paul Kienzle
committed
change %wt/%vol to wt%/vol% in docs
Paul Kienzle
committed
fix markup warning in docs
Paul Kienzle
committed
convert fortran code for magnetic ff initialization to python
Paul Kienzle
committed
Update github tests to latest node.js versions
Paul Kienzle
committed

Commits on Feb 14, 2024

Allow fasta strings to be used in mixtures. Fixes #68
Paul Kienzle
committed
test fasta in mixture
Paul Kienzle
committed
Add README to the end of the user guide. Fixes #29
Paul Kienzle
committed

Commits on Feb 22, 2024

Commits on Feb 26, 2024

Use dna/rna volumes from Buckin, 1989
Paul Kienzle
committed
Add formulas.count_elements() to sum over isotopes and elements in the formula
Paul Kienzle
committed
Allow percentage on final weight/volume. Fixes #38.
Paul Kienzle
committed

Commits on Feb 27, 2024

Allow unicode subscripts in formulas
Paul Kienzle
committed

Commits on Feb 28, 2024

Improve precision of exp(-U)-exp(-V) in the activation calculation.
Paul Kienzle
committed

Commits on Feb 29, 2024

avoid overflow in exp(-U)-exp(-V) activation calculation
Paul Kienzle
committed

Commits on Mar 1, 2024

Fix allowing default tolerance in scattering factor consistency tables
Paul Kienzle
committed

Commits on Mar 2, 2024

use double precision for activation table values on load
Paul Kienzle
committed
use with context for loading activation.dat
Paul Kienzle
committed

Commits on Mar 8, 2024

Fix table data: Ho-163 halflife, Tm-171 halflife, W-188 halflife hrs, Au-197 target
Paul Kienzle
committed
Document differences from nist activation spreadsheet; tweak loader; use better Bq to uCi conversion
Paul Kienzle
committed
Remove numerical precision validation code; it was only needed for algorithm development.
Paul Kienzle
committed
R1.7.0 with release notes
Paul Kienzle
committed
tweak release notes
Paul Kienzle
committed
Smoke tests for activation calculations
Paul Kienzle
committed

Commits on Mar 22, 2024

fix isotope rendering for formulas.pretty()
Paul Kienzle
committed
Fix doc build warnings
Paul Kienzle
committed
fix setup so it only finds periodictable
Paul Kienzle
committed
split changelog from readme so we can include it in the pdf
Paul Kienzle
committed
update formatting for changelog tags
Paul Kienzle
committed
R1.7.0 actual
Paul Kienzle
committed

Commits on Jul 8, 2024

R 1.7.1
Paul Kienzle
committed

Commits on Sep 25, 2024

Initialize the table on set as well as get. Fixes #84.
Paul Kienzle
committed
Move to pyproject.toml for build system
Paul Kienzle
committed

Commits on Oct 1, 2024

Move to pyproject.toml for build system
Paul Kienzle
committed

Commits on Oct 2, 2024

Prepare R2.0.0-pre with new mass tables.
Paul Kienzle
committed
Remove element Z=0 (neutron) from table. Refs #45
Paul Kienzle
committed

Commits on Oct 7, 2024

Merge branch 'master' into reconcile
Paul Kienzle
committed
Pb-208 activation cross section in mbarns rather than barns
Paul Kienzle
committed
Test from installed wheel (#91)
pkienzle
authored
Reconcile 2.0-pre with master (PR 89)
pkienzle
authored
use matplotlib.pyplot rather than pylab
Paul Kienzle
committed
remove unused chemicals.py file
Paul Kienzle
committed
Generate api stubs as part of doc build
Paul Kienzle
committed

Commits on Oct 8, 2024

pyproject fixup (bad grouping)
Paul Kienzle
committed
pyproject fixup (bad grouping)
Paul Kienzle
committed
Move Cromer-Mann data out of CXRO directory.
Paul Kienzle
committed
Update xray scattering factors
Paul Kienzle
committed
Use CODATA 2022 for physical constants
Paul Kienzle
committed
Reinstate neutron as element Z=0, but exclude it from the iterator
Paul Kienzle
committed

Commits on Oct 9, 2024

update activation abundance function; default table no longer uses NIST 2001 data
Paul Kienzle
committed

Commits on Oct 22, 2024

Update with scattering lengths measurements since 2000
Paul Kienzle
committed
Tweak formate of periodictable.nsf output
Paul Kienzle
committed
doc formatting fixes
Paul Kienzle
committed
doc formatting fixes
Paul Kienzle
committed

Commits on Oct 23, 2024

Redo lazy loading of formula, etc. Refs #72.
Paul Kienzle
committed
Use log-log interpolation for xray f''. Fixes #55.
Paul Kienzle
committed
delay type hinting until our oldest supported python allows list[str]
Paul Kienzle
committed

Commits on Oct 24, 2024

Tweak lazy loading implementation. Refs #72.
Paul Kienzle
committed
reorder activation.dat so that we can use table headers more easily when editing
Paul Kienzle
committed
Use more stable algorithm to estimate decay time.
Paul Kienzle
committed

Commits on Oct 25, 2024

Add docs from activation spreadsheet
Paul Kienzle
committed

Commits on Nov 27, 2024

Commits on Dec 3, 2024

Fix repo url in project description
Paul Kienzle
committed
improve internal docs for activation calculation
Paul Kienzle
committed
and note to refactor fasta imports
Paul Kienzle
committed
revert delayed loading restructuring; attributes need doc strings.
Paul Kienzle
committed
Add 191Ir and 193Ir b_c values
Paul Kienzle
committed
Remove -pre tag from version
Paul Kienzle
committed
Merge pull request #97 from a-detiste/R2.0-pre
pkienzle
authored

Commits on Dec 4, 2024

add trusted publishing to pypi on release
bmaranville
committed

Commits on Dec 5, 2024

tweak activation docs
Paul Kienzle
committed
Merge branch 'R2.0-pre' of github.com:pkienzle/periodictable into R2.0-pre
Paul Kienzle
committed