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R2.0.0-pre#92

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pkienzle merged 83 commits intomasterpython-periodictable/periodictable:masterfrom R2.0-prepython-periodictable/periodictable:R2.0-preCopy head branch name to clipboardDec 5, 2024

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Commits

Commits on Feb 13, 2024

• restore exception raised when 'b' mode production activity produces negative values

  

  Paul Kienzle

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• check activation calculation completes for all elements

  

  Paul Kienzle

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• Nicer error message for trans-uranic xray sld failure. Refs #56

  

  Paul Kienzle

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• scattering already returns None if not self.has_sld

  

  jfkcooper

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  Paul Kienzle

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• Use older ubuntu to test python 2.7 and 3.6

  

  Paul Kienzle

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• Drop tests for python below 3.8

  

  Paul Kienzle

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• Allow wt%/vol% in addition to %wt/%vol

  

  Paul Kienzle

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• change %wt/%vol to wt%/vol% in docs

  

  Paul Kienzle

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• fix markup warning in docs

  

  Paul Kienzle

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• convert fortran code for magnetic ff initialization to python

  

  Paul Kienzle

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• Update github tests to latest node.js versions

  

  Paul Kienzle

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Commits on Feb 14, 2024

• Allow fasta strings to be used in mixtures. Fixes #68

  

  Paul Kienzle

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• test fasta in mixture

  

  Paul Kienzle

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• Add README to the end of the user guide. Fixes #29

  

  Paul Kienzle

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Commits on Feb 22, 2024

• tweak fasta calculations: remove Na from dna/rna and add H+OH sequence terminators

  

  Paul Kienzle

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• Merge branch 'R1.7' into 68-fasta-in-grammar

  pkienzle

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• Merge pull request #70 from pkienzle/68-fasta-in-grammar

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• Merge pull request #69 from pkienzle/52-remove-eval-R1.7

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Commits on Feb 26, 2024

• Use dna/rna volumes from Buckin, 1989

  

  Paul Kienzle

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• Add formulas.count_elements() to sum over isotopes and elements in the formula

  

  Paul Kienzle

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• Allow percentage on final weight/volume. Fixes #38.

  

  Paul Kienzle

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Commits on Feb 27, 2024

• Allow unicode subscripts in formulas

  

  Paul Kienzle

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Commits on Feb 28, 2024

• Improve precision of exp(-U)-exp(-V) in the activation calculation.

  

  Paul Kienzle

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Commits on Feb 29, 2024

• avoid overflow in exp(-U)-exp(-V) activation calculation

  

  Paul Kienzle

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Commits on Mar 1, 2024

• Fix allowing default tolerance in scattering factor consistency tables

  

  Paul Kienzle

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Commits on Mar 2, 2024

• use double precision for activation table values on load

  

  Paul Kienzle

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• use with context for loading activation.dat

  

  Paul Kienzle

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Commits on Mar 8, 2024

• Fix table data: Ho-163 halflife, Tm-171 halflife, W-188 halflife hrs, Au-197 target

  

  Paul Kienzle

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• Document differences from nist activation spreadsheet; tweak loader; use better Bq to uCi conversion

  

  Paul Kienzle

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• Remove numerical precision validation code; it was only needed for algorithm development.

  

  Paul Kienzle

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• R1.7.0 with release notes

  

  Paul Kienzle

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• tweak release notes

  

  Paul Kienzle

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• Smoke tests for activation calculations

  

  Paul Kienzle

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Commits on Mar 22, 2024

• fix isotope rendering for formulas.pretty()

  

  Paul Kienzle

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• Fix doc build warnings

  

  Paul Kienzle

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• fix setup so it only finds periodictable

  

  Paul Kienzle

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• split changelog from readme so we can include it in the pdf

  

  Paul Kienzle

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• update formatting for changelog tags

  

  Paul Kienzle

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• R1.7.0 actual

  

  Paul Kienzle

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Commits on Jul 8, 2024

• R 1.7.1

  

  Paul Kienzle

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Commits on Sep 25, 2024

• Initialize the table on set as well as get. Fixes #84.

  

  Paul Kienzle

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• Move to pyproject.toml for build system

  

  Paul Kienzle

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Commits on Oct 1, 2024

• Move to pyproject.toml for build system

  

  Paul Kienzle

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Commits on Oct 2, 2024

• Prepare R2.0.0-pre with new mass tables.

  

  Paul Kienzle

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• Remove element Z=0 (neutron) from table. Refs #45

  

  Paul Kienzle

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Commits on Oct 7, 2024

• Merge branch 'master' into reconcile

  

  Paul Kienzle

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• Pb-208 activation cross section in mbarns rather than barns

  

  Paul Kienzle

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• Test from installed wheel (#91)

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  pkienzle

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• Reconcile 2.0-pre with master (PR 89)

  pkienzle

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• use matplotlib.pyplot rather than pylab

  

  Paul Kienzle

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• remove unused chemicals.py file

  

  Paul Kienzle

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• Generate api stubs as part of doc build

  

  Paul Kienzle

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Commits on Oct 8, 2024

• pyproject fixup (bad grouping)

  

  Paul Kienzle

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• pyproject fixup (bad grouping)

  

  Paul Kienzle

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• Move Cromer-Mann data out of CXRO directory.

  

  Paul Kienzle

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• Update xray scattering factors

  

  Paul Kienzle

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• Use CODATA 2022 for physical constants

  

  Paul Kienzle

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• Reinstate neutron as element Z=0, but exclude it from the iterator

  

  Paul Kienzle

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Commits on Oct 9, 2024

• update activation abundance function; default table no longer uses NIST 2001 data

  

  Paul Kienzle

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Commits on Oct 22, 2024

• Update with scattering lengths measurements since 2000

  

  Paul Kienzle

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• Tweak formate of periodictable.nsf output

  

  Paul Kienzle

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• doc formatting fixes

  

  Paul Kienzle

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• doc formatting fixes

  

  Paul Kienzle

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Commits on Oct 23, 2024

• Redo lazy loading of formula, etc. Refs #72.

  

  Paul Kienzle

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• Use log-log interpolation for xray f''. Fixes #55.

  

  Paul Kienzle

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• delay type hinting until our oldest supported python allows list[str]

  

  Paul Kienzle

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Commits on Oct 24, 2024

• Tweak lazy loading implementation. Refs #72.

  

  Paul Kienzle

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• reorder activation.dat so that we can use table headers more easily when editing

  

  Paul Kienzle

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• Use more stable algorithm to estimate decay time.

  

  Paul Kienzle

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Commits on Oct 25, 2024

• Add docs from activation spreadsheet

  

  Paul Kienzle

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Commits on Nov 27, 2024

• drop Python2 crumbs 1/2

  a-detiste

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• remove more Python2 syntax

  a-detiste

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• replace custom @require_keywords decorator with modern syntax

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Commits on Dec 3, 2024

• Fix repo url in project description

  

  Paul Kienzle

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• improve internal docs for activation calculation

  

  Paul Kienzle

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• and note to refactor fasta imports

  

  Paul Kienzle

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• revert delayed loading restructuring; attributes need doc strings.

  

  Paul Kienzle

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• Add 191Ir and 193Ir b_c values

  

  Paul Kienzle

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• Remove -pre tag from version

  

  Paul Kienzle

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• Merge pull request #97 from a-detiste/R2.0-pre

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Commits on Dec 4, 2024

• add trusted publishing to pypi on release

  bmaranville

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Commits on Dec 5, 2024

• tweak activation docs

  

  Paul Kienzle

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• Merge branch 'R2.0-pre' of github.com:pkienzle/periodictable into R2.0-pre

  

  Paul Kienzle

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