Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Moving the support code in a easier to use place #1211

Merged

Conversation

Iximiel
Copy link
Member

@Iximiel Iximiel commented Feb 24, 2025

Description

@gtribello
as we discussed I am moving the code into easier-to-use places
I am doing a commit per piece of code, starting from the View.

The plan is

  • View
  • View2D
  • MultiColvarInput
  • ColvarInput
  • ColvarOutput

right?
Colvar input and ouput will likely end up in the same file

I will set up the PR directly with the versions of those classes that works for openacc, to simplify the rebasing/merging of #1206

For the changes in Pbc, as now I am using using to speed up, but in a second moment we can change "memoryView" to plain view

Target release

I would like my code to appear in release XXXXX

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.

@gtribello
Copy link
Member

HI @Iximiel

I think that the following tools can be moved to the tools directory:

  • View
  • View2D
  • ColvarOutput

MultiColvarInput will likely only be ever used in MultiColvarTemplate. If you want to move it to a separate file in the colvar module that is fine with me. However, if it were me, I would just leave those definitions in MultiColvarTemplate.

Similarly, ColvarInput is likely only going to be used in files that include MutiColvarTemplate. I would thus also be tempted to leave these definitions in MultiColvarTemplate. It could also be put in a separate file in the colvar module, though.

@gtribello gtribello marked this pull request as ready for review February 24, 2025 12:13
@gtribello gtribello merged commit 8a272ad into plumed:gpu-derivatives-from-backpropegation Feb 24, 2025
6 of 18 checks passed
@Iximiel
Copy link
Member Author

Iximiel commented Feb 24, 2025

My intention was to put those in this PR, sorry for the misunderstaning.

And I was sure to have opened this as a draft to block the merge until done...

I will open a new PR with all the changes

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants