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VIB| Bugfix for force constant#4427

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hfp merged 2 commits intocp2k:masterfrom
BelizSertcan:frc_const
Sep 10, 2025
Merged

VIB| Bugfix for force constant#4427
hfp merged 2 commits intocp2k:masterfrom
BelizSertcan:frc_const

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@BelizSertcan
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Fixes the issue reported on google groups

@BelizSertcan
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make pretty did not catch the change in physcon.F

@hfp
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hfp commented Sep 10, 2025

Ready?

@hfp hfp merged commit fde9df4 into cp2k:master Sep 10, 2025
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hfp commented Sep 10, 2025

Uoops, I rebased the PR instead of squashing both commits.

@oschuett
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Thanks for fixing this. Should we maybe also add a test?

@BelizSertcan
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Thanks for fixing this. Should we maybe also add a test?

Should I make a matcher for force constant?

@oschuett
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Should I make a matcher for force constant?

Yes, that would be awesome. And feel free to pick a more descriptive name than M128 ;-)

@BelizSertcan
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Should I make a matcher for force constant?

Yes, that would be awesome. And feel free to pick a more descriptive name than M128 ;-)

Are there any plans to give the matchers reasonable and descriptive names?

@oschuett
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Are there any plans to give the matchers reasonable and descriptive names?

Yes, I was hoping that over time the community would reassigned descriptive names to all the matchers. It usually requires a bit of digging to figure out what a machter actually does to then pick a good name.

The actual search-and-replace can done with sed. I left an example command in the README.

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3 participants