Type agnostic molgrid - #114

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ryanmrichard wants to merge 18 commits into

wavefunction91:masterfrom

ryanmrichard:type_agnostic_molgrid

Commits on Aug 26, 2026

Route FP math through fp_traits; guard Newton-based quadratures

ryanmrichard
and
claude
committed
6db7f25
Store s2 tables as double; convert on read

ryanmrichard
and
claude
committed
e2becc2

Commits on Aug 27, 2026

Introduce IXX_INT / IXX_REAL literal policy

ryanmrichard
and
claude
committed
5fe8e4a

Commits on Aug 31, 2026

make script more generic
ryanmrichard
committed
1a3cb4b
Add the ixx_real literal policy and convert s2 tables on read

ryanmrichard
and
claude
committed
911e30c
Add scripts/retype_s2_tables.py

ryanmrichard
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claude
committed
a45f1df
Retype the s2 tables to ixx_real

ryanmrichard
and
claude
committed
7952cf3
clean-up comment
ryanmrichard
committed
fc1ab8f
fix comments
ryanmrichard
committed
294919c
fix for macos
ryanmrichard
committed
6f3f92a

Commits on Sep 1, 2026

Commits on Sep 2, 2026

adds molecular grid
ryanmrichard
committed
1733113
Merge pull request #3 from ryanmrichard/molecular_grids
ryanmrichard
authored
9c7dfd5
makes molecular grids type agnostic
ryanmrichard
committed
a8ae641