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Replace RNG in DPD, thermalized bond by Philox #2683

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RudolfWeeber opened this issue Apr 9, 2019 · 5 comments
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Replace RNG in DPD, thermalized bond by Philox #2683

RudolfWeeber opened this issue Apr 9, 2019 · 5 comments
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@KonradBreitsprecher
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@RudolfWeeber
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No description provided.

@fweik
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fweik commented Apr 9, 2019

@KonradBreitsprecher is iirc working on that.

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Confirmed

@RudolfWeeber RudolfWeeber added this to the Espresso 4.1 milestone Apr 9, 2019
@KonradBreitsprecher KonradBreitsprecher mentioned this issue Jul 25, 2019
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@KaiSzuttor
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@KonradBreitsprecher are you also working on thermalized bond with philox?

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Yes that's almost done.

@KonradBreitsprecher KonradBreitsprecher mentioned this issue Aug 9, 2019
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bors bot added a commit that referenced this issue Aug 22, 2019
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@jngrad @KaiSzuttor @RudolfWeeber
Merge #3070 #3080 #3096
6ef8d36 
3070: Thermalized bond philox r=jngrad a=KonradBreitsprecher

Fixes the TB part of #2683 

- Common philox counter for all thermalized bonds. Decorrelation via the bond partner IDs (not taking into account the bond ID). This was much easier to implement and is valid, as two (different) thermalized bonds on the same particle pair makes no sense.

3080: testsuite: add test for is_valid_type. r=jngrad a=KaiSzuttor

Currently it is possible to give ```nan``` as values to the particle properties because in python a ```nan``` is of type ```float```. This PR adds a check for ```None```, ```inf``` and ```nan``` to the ```is_valid_type``` and tests for the correct behavior.

3096: Core: Correct maximum permissible skin in tune_skin() r=jngrad a=RudolfWeeber

Fixes #2924 
Fix according to the discussion in #2924 




Co-authored-by: KonradBreitsprecher <[email protected]>
Co-authored-by: Konrad Breitsprecher <[email protected]>
Co-authored-by: Konrad Breitsprecher <[email protected]>
Co-authored-by: Jean-Noël Grad <[email protected]>
Co-authored-by: Kai Szuttor <[email protected]>
Co-authored-by: Kai Szuttor <[email protected]>
Co-authored-by: Rudolf Weeber <[email protected]>
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jngrad commented Aug 22, 2019

Done.

@jngrad jngrad closed this as completed Aug 22, 2019
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