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ACEsuit / ACE.jl

Parameterisation of Equivariant Properties of Particle Systems
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Euclidian vector real version enabled #39

Closed MatthiasSachs closed 3 years ago

cortner commented 3 years ago

I'll need to resolve the conflicts, can you please give me push access to your fork?

MatthiasSachs commented 3 years ago

ok, will do! But there is one issue with the invariant properties now. I will fix that and update the pull request.

Best, Matthias

On Jun 8, 2021, at 07:39, Christoph Ortner @.***> wrote:

I'll need to resolve the conflicts, can you please give me push access to your fork?

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cortner commented 3 years ago

please wait a minute- I'm about to push some changes

cortner commented 3 years ago

I just had to update the FIO codes for symmetric basis because of the new parameter.

cortner commented 3 years ago

I'll push that to your branch, and then please go ahead and make any other changes you think you need.

cortner commented 3 years ago

ok, I merged with my updated v0.10.x branch. I saw the error you noticed. Please go ahead now and update the PR

MatthiasSachs commented 3 years ago

OK! I think you have access to my branch, right?

On Jun 8, 2021, at 10:54, Christoph Ortner @.***> wrote:

I'll push that to your branch, and then please go ahead and make any other changes you think you need.

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cortner commented 3 years ago

ok, I made complex the default, and I put the real application in a different place where it avoids another allocation. The main thing still missing is that the gradient of the basis is still complex

cortner commented 3 years ago

@MatthiasSachs please look at my changes, review carefully, rerun tests, and report back that you are happy to merge. I'll then tag new versions of ACEbase and ACE later.