FIX: LAMMPSDUMP Convert forces from kcal to kJ units#5117

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Rupesh-Singh-Karki wants to merge 24 commits intoMDAnalysis:developfrom

Rupesh-Singh-Karki:fix/convert-units-of-trajectory

Commits on Sep 27, 2025

Commits on Oct 9, 2025

LAMMPS DumpReader: unit overrides (time/length/energy), default force conversion, and native-force preservation test
Rupesh-Singh-Karki
committed
mark analysis.rdf.InterRDF and analysis.rdf.InterRDF_s as not parallizable

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Adds parallization for analysis.rdf.InterRDF

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Minor changes

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Adds custom aggregegator for InterRDF_s

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Fixes aggregation of results.edges

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Parallizes InterRDF_s

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Minor changes

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Fixes linter

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Fixes linter

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Tests for parallization

tanishy7777
authored and
Rupesh-Singh-Karki
committed
refactor custom aggregator for rdf

tanishy7777
authored and
Rupesh-Singh-Karki
committed
remove uneccesary variables

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Update CHANGELOG

tanishy7777
authored and
Rupesh-Singh-Karki
committed
adds tests for nested_array_sum

tanishy7777
authored and
Rupesh-Singh-Karki
committed
fixes formatting

tanishy7777
authored and
Rupesh-Singh-Karki
committed
fixes formatting

tanishy7777
authored and
Rupesh-Singh-Karki
committed
Remove unused code from test_nested_array_sum

p-j-smith
authored and
Rupesh-Singh-Karki
committed
remove unnecessary tests from test_rdf and test_rdf_s

p-j-smith
authored and
Rupesh-Singh-Karki
committed
Make linters happy

p-j-smith
authored and
Rupesh-Singh-Karki
committed
Merge branch 'develop' into fix/convert-units-of-trajectory
Rupesh-Singh-Karki
authored

Commits on Oct 14, 2025

Merge branch 'develop' into fix/convert-units-of-trajectory
orbeckst
authored

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FIX: LAMMPSDUMP Convert forces from kcal to kJ units#5117

FIX: LAMMPSDUMP Convert forces from kcal to kJ units#5117
Rupesh-Singh-Karki wants to merge 24 commits intoMDAnalysis:developfrom
Rupesh-Singh-Karki:fix/convert-units-of-trajectory

Commits on Sep 27, 2025

FIX: LAMMPSDUMP Convert forces from kcal to kJ units

Fixed failing lint tests

Commits on Oct 9, 2025

LAMMPS DumpReader: unit overrides (time/length/energy), default force conversion, and native-force preservation test

mark analysis.rdf.InterRDF and analysis.rdf.InterRDF_s as not parallizable

Adds parallization for analysis.rdf.InterRDF

Minor changes

Adds custom aggregegator for InterRDF_s

Fixes aggregation of results.edges

Parallizes InterRDF_s

Minor changes

Fixes linter

Fixes linter

Tests for parallization

refactor custom aggregator for rdf

remove uneccesary variables

Update CHANGELOG

adds tests for nested_array_sum

fixes formatting

fixes formatting

Remove unused code from test_nested_array_sum

remove unnecessary tests from test_rdf and test_rdf_s

Make linters happy

Merge branch 'develop' into fix/convert-units-of-trajectory

Commits on Oct 14, 2025

Merge branch 'develop' into fix/convert-units-of-trajectory