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Hello,I meet a question about [cp2k@7.1] Failed to execute the self-test case.
### Steps to reproduce the issue
```console
[root@centos8 ~]#spack install -y openmpi@4.0.5 python@3.8.5
[root@ce…
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@carlocamilloni @maxbonomi I open an issue since it is always difficult to find the comments associated to commits later.. Anyway, this discussion started at this commit: https://github.com/plumed/pl…
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On MacOS I'm not able to run the example, showing
> I cannot understand line: ENVIRONMENTSIMILARITY SPECIES=1-216 SIGMA=0.04 LATTICE_CONSTANTS=0.5431 CRYSTAL_STRUCTURE=DIAMOND LABEL=es MORE_THAN=RA…
CareF updated
4 years ago
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When parsing a `float`, it is possible to use a simple math expression in the plumed input file.
It would be nice to extend this feature also to the parsing of `int` types.
As of now it is is what…
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Hello!
I seem to have successfully installed PLUMED on my cluster. I used this release: https://github.com/plumed/plumed2/releases/download/v2.6.0/plumed-2.6.0.tgz
Now I am trying to patch my grom…
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Hello,
I've recently been testing the new OPES code with a simple protein in explicit solvent system. After one of the recent updates, I'm getting an odd error when restarting the simulation (see p…
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@tonigi mentioned the possibility to distribute PLUMED binaries through conda (see #411). This would amount basically to distributing the driver, the library, and the python wrappers.
[Here]( https…
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I'm working on improving the _PLUMED_ plugin for _OpenMM_ (https://github.com/openmm/openmm-plumed).
_OpenMM-PLUMED_ uses `plumed_cmd(plumedmain, "readInputLine", &line)` to pass the input file to …
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**Submitting author:** @tonigi (Toni Giorgino)
**Repository:** https://github.com/giorginolab/plumed2-pycv/
**Version:** v1.1
**Editor:** @arfon
**Reviewer:** @amritagos, @carlocamilloni
**Archive:** …
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Hi all,
This seems like a very minor bug. When I try to do a fresh installation of plumed, the first time it fails because it doesn't find a folder called vim inside the folder where the program is…