Axel Kohlmeyer

**Summary** This PR combines multiple bugfixes and small changes **Related Issue(s)** Fixes #3385 Fixes #3386 **Author(s)** Axel Kohlmeyer, Temple U **Licensing** By submitting this pull request, I agree, that my...

Enable use of fix shake or fix rattle during minimization

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**Summary** This PR changes fix shake (and thus also fix rattle) to be called during minimization. In that case the constraint algorithms are substituted by adding restraint forces to the...

Hi all, We will be holding a LAMMPS Code Clinic event as an online activity between August 8th, 2022 and September 2nd, 2022 This is an opportunity to learn about...

[Feature Request] Refactor offline compilation and download of additional sources

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**Summary** The current handling of transparent downloads is in several cases dependent on the compilation host being connected to the internet. There are some ways to provide already downloaded archives,...

[BUG] Using pair style hybrid with GPU package and neighbor lists on GPU

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**Summary** There appears to be a problem using neighbor lists on the GPU with pair style hybrid inputs. The following input does not work reliably with just "-sf gpu" added,...

**Summary** To satisfy increasing demand from users to run multiple LAMMPS instances concurrently from threads of the same process, we should take some measures to make LAMMPS work correctly under...

[Feature Request] Add support for symbolic atom, bond, angle, dihedral and improper types

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**Summary** Right now, force field types in LAMMPS are numbers starting from 1. Allowing symbolic (text) based atom types would make a lot of tasks easier like merging data from...

[Feature Request] Implement dump style(s) for grid based data

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**Summary** For fixes and computes that compute properties on a spatial grid, there are currently several *ad hoc* file formats. Some of those are tricky to parse in a generic...

Track updating the citation reminder strings

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**Summary** In order to complete the refactoring of the citation reminder we need to update all citation reminders to include a brief 1-line reference in the first line of the...

[Feature Request] Replace `Modify::find_fix*()` and `Modify::find_compute*()`

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**Summary** Replace `Modify::find_fix()`, `Modify::find_fix_by_style()`, `Modify::find_compute()`, `Modify::find_compute_by_style()` with functions that return the Fix or Compute class pointer directly. **Detailed Description** Continuing the refactoring from PR #2869 the functionality to identify and...