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R2.0.0-pre #92

Merged
merged 83 commits into from
Dec 5, 2024
Merged

R2.0.0-pre #92

merged 83 commits into from
Dec 5, 2024

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pkienzle
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@pkienzle pkienzle commented Oct 7, 2024

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Paul Kienzle and others added 30 commits February 13, 2024 16:43
restore exception raised when 'b' mode production activity produces n…
893d64c 
…egative values
check activation calculation completes for all elements
54aa9c0
Nicer error message for trans-uranic xray sld failure. Refs #56
a41fdf0
@jfkcooper
scattering already returns None if not self.has_sld
f348335
Use older ubuntu to test python 2.7 and 3.6
ac8fba0
Drop tests for python below 3.8
8db5aa4
Allow wt%/vol% in addition to %wt/%vol
db095a5
change %wt/%vol to wt%/vol% in docs
def6e4b
fix markup warning in docs
1fa4dea
convert fortran code for magnetic ff initialization to python
e7704ae
Update github tests to latest node.js versions
5be2a23
Allow fasta strings to be used in mixtures. Fixes #68
75b9c83
test fasta in mixture
43cfad6
Add README to the end of the user guide. Fixes #29
bf73724
tweak fasta calculations: remove Na from dna/rna and add H+OH sequenc…
e0c8c80 
…e terminators
@pkienzle
Merge branch 'R1.7' into 68-fasta-in-grammar
ff6dc7d
@pkienzle
Merge pull request #70 from pkienzle/68-fasta-in-grammar
8999270 
Add fasta strings to the formula grammar
@pkienzle
Merge pull request #69 from pkienzle/52-remove-eval-R1.7
c3a290c 
Eliminate use of eval for parsing vectors of numbers.
Use dna/rna volumes from Buckin, 1989
6c9c10b
Add formulas.count_elements() to sum over isotopes and elements in th…
9718f14 
…e formula
Allow percentage on final weight/volume. Fixes #38.
99c21df
Allow unicode subscripts in formulas
3dd5ab5
Improve precision of exp(-U)-exp(-V) in the activation calculation.
e78b0dc
avoid overflow in exp(-U)-exp(-V) activation calculation
781fd6d
Fix allowing default tolerance in scattering factor consistency tables
6893953
use double precision for activation table values on load
06a1dde
use with context for loading activation.dat
9efb346
Fix table data: Ho-163 halflife, Tm-171 halflife, W-188 halflife hrs,…
a6668ca 
… Au-197 target
Document differences from nist activation spreadsheet; tweak loader; …
e285c94 
…use better Bq to uCi conversion
Remove numerical precision validation code; it was only needed for al…
621da3b 
…gorithm development.
Paul Kienzle and others added 29 commits October 8, 2024 11:46
Move Cromer-Mann data out of CXRO directory.
210e021
Update xray scattering factors
25d0085
Use CODATA 2022 for physical constants
48135c6
Reinstate neutron as element Z=0, but exclude it from the iterator
3b5c431
update activation abundance function; default table no longer uses NI…
27feec0 
…ST 2001 data
Update with scattering lengths measurements since 2000
dc79810
Tweak formate of periodictable.nsf output
19088de
doc formatting fixes
5f45086
doc formatting fixes
3bee412
Redo lazy loading of formula, etc. Refs #72.
520cac8
Use log-log interpolation for xray f''. Fixes #55.
d9c5953
delay type hinting until our oldest supported python allows list[str]
789c341
Tweak lazy loading implementation. Refs #72.
ca94dbd
reorder activation.dat so that we can use table headers more easily w…
01a9573 
…hen editing
Use more stable algorithm to estimate decay time.
2bc1ffc
Add docs from activation spreadsheet
c173555
@a-detiste
drop Python2 crumbs 1/2
b689b8b
@a-detiste
remove more Python2 syntax
91af03a
@a-detiste
replace custom @require_keywords decorator with modern syntax
a7e11f8
Fix repo url in project description
bc62c71
improve internal docs for activation calculation
ea60e46
and note to refactor fasta imports
fd6f3c1
revert delayed loading restructuring; attributes need doc strings.
4ffc725
Add 191Ir and 193Ir b_c values
04ba8e0
Remove -pre tag from version
3a1cbf2
@pkienzle
Merge pull request #97 from a-detiste/R2.0-pre
134aed2 
remove Python2 compatibility
@bmaranville
add trusted publishing to pypi on release
9ed5f54
tweak activation docs
de0b9e7
Merge branch 'R2.0-pre' of github.com:pkienzle/periodictable into R2.…
2344d62 
…0-pre
@pkienzle pkienzle merged commit 9b6f946 into master Dec 5, 2024
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4 participants
@pkienzle @jfkcooper @a-detiste @bmaranville