Daniele
Daniele
##### Description I refactored the switching function in order to make it easier to edit/add new functions by transforming the choices in a strategies. By doing so I removed the...
Cmake
##### Description I set up the CMake build generator: it mimic the build process that calls `make install-build` in the src/lib directory, but not yet the install procedure of the...
##### Description In this PR I will set up some modifications to the code in order to make possible to compile all plumed with nvhpc v24.3. As now is a...
As I did with CUDA(#1028) and I tried to do with Arrayfire(#1049) and [pytorch](https://github.com/Iximiel/plumed2/tree/torchCoord/plugins/torchCoord), I tried to [rewrite](https://github.com/Iximiel/plumed2/tree/openACCcoord/plugins/openACCCoord) the COORDINATION cv with _openACC_ as accelerator. Here's the result, using the...
I wanted to add the following comment to #1068, but after writing it felt out of scope for the PR, since these changes are more a refactor than a change...
I'm not opening a new PR, because I do not think that the work is done, but I think that it is worth showing how we can use ArrayFire for...
##### Description I was running some tests on some previous commit (where regtest/clusters/rt-dfg1/config had a wrong module prerequisites instead of `plumed_modules="adjmat clusters"`) and the exception text `+++ assertion failed: m.count(key)>0`...
##### Description I started to work on this in the context of #1076 and in sync with what I did with #1075. My idea was to set up some types...
##### Description I removed the old-style casts in Plumed.h. Now when Plumed.h is in "c++ mode" will use static_cast or reintrpet_cast I used `-Werror=old-style-cast` to find the casts and i...
##### Description Since my previous version of the code was producing a lot of warning I set up the control value for a "dynamic array" in a more modern (and...