Fix issue #100#113

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chikitng wants to merge 18 commits intocole-group:feature-new-tutorialsfrom

chikitng:fix-issue-100

Commits on Aug 8, 2025

Set default value of minimum_conf_rms to 0.5, not []
fjclark
committed

Commits on Aug 9, 2025

Merge pull request #105 from cole-group/bugfix-minimum-conf-rms
bieniekmateusz
authored

Commits on Aug 18, 2025

Energy minimisation for any single conformer is now allowed to fail - with a warning.
bieniekmateusz
committed

Commits on Aug 20, 2025

Error if minimisation in the receptor blows up for every conformer.
bieniekmateusz
committed
Wording.
bieniekmateusz
committed
Merge pull request #107 from cole-group/fix-allow-single-conformers-to-fail-but-log-warning
bieniekmateusz
authored

Commits on Aug 28, 2025

Commits on Aug 29, 2025

Commits on Nov 4, 2025

Commits on Nov 10, 2025

Add files via upload
chikitng
authored