Merge develop into oxdna3#22

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ohenrich merged 689 commits intooxdna3from

Apr 3, 2025

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document how to address "externally managed environment" errors with install-python
akohlmey
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spelling
akohlmey
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Merge remote-tracking branch 'github/develop' into errors-more-cleanup
akohlmey
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consolidate calls to utils::errorurl() with corresponding error class calls.
akohlmey
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add -f option to install.py to install into externally-managed environments
akohlmey
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Reimplement warning through fix qtpie/reaxff
navlalli
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Remove unused header files and add affiliation
navlalli
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Update macOS info
fxcoudert
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Fixed the Moltemplate HowTo docs. (I also added a very simple polymer example.) This needed to be done because the file names and @atom types in the old version of this HowTo are no longer accura…
jewettaij
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tried to minimize the differences between my version and the existing version
jewettaij
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deleted trailing whitespace in the Howto_moltemplate.rst file (for PR #4508)
jewettaij
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update a bunch more error messages
akohlmey
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Commits on Mar 20, 2025

fix segfault issue for optional arguments
akohlmey
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fix spelling and duplicate references issues
akohlmey
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flag some more compatible time and out-of-bounds errors with errorurl()s
akohlmey
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Add examples for fix qeqr/reaxff
navlalli
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Improve qtpie/reaxff docs and add qeqr/reaxff docs
navlalli
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Added code which provides callbacks from external ML-IAP functions to exchange data

fglines-nv
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Matt Bettencourt
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fixed whitespace
Matt Bettencourt
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Remove dead code
Matt Bettencourt
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more error reporting updates
akohlmey
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Commits on Mar 22, 2025

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Commits on Mar 30, 2025

fix typo

akohlmey
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srtee
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Commits on Apr 2, 2025

Commits on Apr 3, 2025

Merge branch 'oxdna3' into develop
ohenrich
authored