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Generic observables #3667

Merged
merged 58 commits into from
May 28, 2020
Merged

Generic observables #3667

merged 58 commits into from
May 28, 2020

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KaiSzuttor
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@KaiSzuttor KaiSzuttor commented Apr 16, 2020

  • Added src/particle_observables for generic single particle observables
  • Use new observables lib in the core.

KaiSzuttor and others added 30 commits March 3, 2020 23:09
Added basic CI

See merge request kai/observables!1
Switched to pitchfork layout

See merge request kai/observables!2
maintainer: added README file.

See merge request kai/observables!3
Fixed general design

See merge request kai/observables!4
pitchfork: removed subnamespaces.

See merge request kai/observables!5
Algorithm type

See merge request kai/observables!6
Missing include

See merge request kai/observables!7
@KaiSzuttor
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I don't like the name genobs. Shouldn't this just be called particle observables or similar?

Naming is hard, renaming too ;)

@fweik
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fweik commented May 18, 2020

@KaiSzuttor KaiSzuttor force-pushed the observables branch 3 times, most recently from 3eeea69 to 49c7be0 Compare May 18, 2020 13:58
@KaiSzuttor
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why does the integrator test fail? https://gitlab.icp.uni-stuttgart.de/espressomd/espresso/-/jobs/230703
Can't see where I touch any related code.

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fweik commented May 19, 2020

Timeout could be a technical problem. Did you check locally (with more than one core)?

@KaiSzuttor
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ok CI is green... @RudolfWeeber you can have a look again

@RudolfWeeber
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Doc is good except the comment on VS forces. Once that's done, we can go ahead with this.

RudolfWeeber
RudolfWeeber previously approved these changes May 20, 2020
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See inline comment on ParticleTraits::force

@fweik fweik dismissed jngrad’s stale review May 28, 2020 09:14

Points have been addressed

@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label May 28, 2020
@jngrad jngrad added this to the Espresso 4.2 milestone May 28, 2020
@kodiakhq kodiakhq bot merged commit b17a8d5 into espressomd:python May 28, 2020
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5 participants