Particle data #3251
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Particle data #3251
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@@ Coverage Diff @@
## python #3251 +/- ##
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- Coverage 85% 85% -1%
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Files 530 531 +1
Lines 25795 25796 +1
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Hits 22168 22168
- Misses 3627 3628 +1
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jngrad
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3248: Fix cmake install on dev branch r=KaiSzuttor a=jngrad Porting #3228 to the dev branch Description of changes: - fix the CMake build system to include libraries in the list of installed files and test it in a dedicated CI job - fix the versioning of Cython .so shared objects - simplify the CMake tests 3251: Particle data r=jngrad a=fweik Fixes #3157. Description of changes: - Split definition of `struct Particle` from rest of particle data. Co-authored-by: Christoph Junghans <[email protected]> Co-authored-by: Jean-Noël Grad <[email protected]> Co-authored-by: Florian Weik <[email protected]>
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3252: Factor out ParticleList r=jngrad a=fweik Follow up on #3251. Description of changes: - Pulling `ParticleList` out of `particle_data.hpp` to get better header disentanglement. 3256: Remove tutorial 10 and unused LaTeX files r=fweik a=jngrad Closes #3211 Description of changes: - removed tutorial 10 - removed unused LaTeX preambles 3257: Remove PDB parser feature r=fweik a=jngrad The consensus offline at the ICP and online in #1441 is to drop support of the PDB parser feature in favor of the dedicated python package MDAnalysis. Co-authored-by: Florian Weik <[email protected]> Co-authored-by: Jean-Noël Grad <[email protected]>
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3252: Factor out ParticleList r=jngrad a=fweik Follow up on #3251. Description of changes: - Pulling `ParticleList` out of `particle_data.hpp` to get better header disentanglement. 3256: Remove tutorial 10 and unused LaTeX files r=fweik a=jngrad Closes #3211 Description of changes: - removed tutorial 10 - removed unused LaTeX preambles 3257: Remove PDB parser feature r=fweik a=jngrad The consensus offline at the ICP and online in #1441 is to drop support of the PDB parser feature in favor of the dedicated python package MDAnalysis. Co-authored-by: Florian Weik <[email protected]> Co-authored-by: Jean-Noël Grad <[email protected]>
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Fixes #3157.
Description of changes:
struct Particlefrom rest of particle data.