ENH,BUG: Fix counts - Githubissues

TheochemUI / eOn

eOn v3 and beyond

https://theochemui.github.io/eOn/

BSD 3-Clause "New" or "Revised" License

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Closed HaoZeke closed 4 months ago

HaoZeke commented 4 months ago

As the title says.

Also matter should never construct a potential on its own..

Closes #101.

HaoZeke commented 4 months ago

Verified the count with the OptBench improved dimer examples (added here)

force_calls 116
force_calls_max 160
force_calls_min 83
force_calls_median 114
nfailed 0
code Eon
date 19 Jun 2024

As compared to the one from here: eon-dimer.zip

force_calls 116
force_calls_max 160
force_calls_min 83
force_calls_median 114
nfailed 0
code Eon
date 20 Jun 2014