Omar Valsson

Results 13 comments of Omar Valsson

Sound like a good idea to me. I support keeping `colvar.[replica#].dat` as the default due to other codes such as LAMMPS (my group often uses the multiple walkers/replicas in LAMMPS)....

In this regards, we should also update the instructions at the end of https://www.plumed.org/doc-master/developer-doc/html/using_doxygen.html

Ah, I missed that, that makes sense. However, won't the problem then be that GIT_BOT and GIT_BOT_EMAIL are not defined correctly? Should we not also take GIT_BOT and GIT_BOT_EMAIL from...

Okay, setting GIT_TOKEN_PLUMEDBOT works, see https://github.com/ves-code/doc-irtg-school-2020 Only the commit is incorrectly labeled as being done by PlumedDot as the GIT_BOT variable is not picked up, I will try to fix...

Hello @PabloPiaggi, you could just simply add it as a single CV module, same as I did today after @GiovanniBussi suggestions, see #768, and #770 and https://github.com/plumed/plumed2/tree/master/src/s2cm, then you can...

Hello @gtribello I will take a look at the VES stuff. To clarify, is this only happening on your Mac? What setup are you using (OS version, compilers and version,...

@gtribello I have the same setup (Mac M2 Pro / Ventura / clang+mpi), and I get the same errors with the master branch. However, this is all very strange as...

Okay, I must take back what I said about no errors with v2.8.1. I used a binary compiled on Feb 20, 2023 when I did that test. I have now...

The clang compilers are updated from time to time, so it likely they were updated on my computer between Feb 20 and now. At least, I can't see any reason...

Hello @gtribello and @GiovanniBussi I looked further into the issue and it seems that it is related to the conversion from string to a double in the setup of the...