Plumed now fetches the masses from pw.x correctly (v2.9) - Githubissues

plumed / plumed2

Development version of plumed 2

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Plumed now fetches the masses from pw.x correctly (v2.9) #970

Closed Iximiel closed 1 year ago

Iximiel commented 1 year ago

Description

The modifications from #962 but rebased on the v2.9, the modification passes the tests with qe7.0

Target release

I would like my code to appear in release 2.9

Type of contribution

[x] changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules

Copyright

[x] I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.

[ ] the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.

Tests

[ ] I added a new regtest or modified an existing regtest to validate my changes.
[ ] I verified that all regtests are passed successfully on GitHub Actions.

GiovanniBussi commented 1 year ago

@Iximiel please remember to also add a comment in the changelog for 2.9. Thanks!