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@invemichele invemichele commented Nov 29, 2023

Description

See #990

Unfortunately I cannot test the intel compiler on my machine. My guess is that previous attempt did not work because this line was optimized away

if(!std::isnan(std::numeric_limits<double>::quiet_NaN()))

Anyway, I now completely removed any NaN and instead use a very unlikely default value, that in practice will do the same job.

Target release

I would like my code to appear in release v2.8

Type of contribution
  • changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
  • changes to a module not authored by you
  • new module contribution or edit of a module authored by you
Copyright
  • 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.

@carlocamilloni carlocamilloni merged commit 6b4cffc into plumed:v2.8 Nov 29, 2023
GiovanniBussi added a commit that referenced this pull request Nov 30, 2023
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2 participants