Code

Changes in utils scripts#228

Code

Merged

hmcezar merged 22 commits intoCascella-Group-UiO:mainCascella-Group-UiO/HyMD:mainfrom hmcezar:mainhmcezar/HyMD:mainCopy head branch name to clipboardSep 6, 2024

+1,152-90

Commits

Commits on Nov 7, 2023

• Fix compute_rdf_aggregates without names

  hmcezar

  committed
  0f0d842

Commits on Dec 29, 2023

• Fix pddf

  hmcezar

  committed
  21afffb

• Changed PDDF to be computed using PLUMED parameters.

  hmcezar

  committed
  f8fc206

Commits on Feb 2, 2024

• Add name selection in center_group.py

  

  Manuel Carrer

  committed
  91d887c

Commits on Feb 3, 2024

• We don't need to shift the COM to zero

  

  Manuel Carrer

  authored
  c9c830e

• Cleanup

  

  Manuel Carrer

  authored
  a9ca8ac

Commits on Feb 4, 2024

• Fix wrong variable

  

  Manuel Carrer

  committed
  33c74b9

• Use np.mean

  

  Manuel Carrer

  authored
  1debff6

Commits on Feb 28, 2024

• Add option to font sizes in aggregates.py

  hmcezar

  committed
  78a18a2

Commits on Mar 8, 2024

• Print clusters found in each frame.

  hmcezar

  committed
  c406ed1

Commits on Apr 5, 2024

• Add option to compute CDF.

  hmcezar

  committed
  7b146e4

• Merge pull request Cascella-Group-UiO#82 from hmcezar/cdf-script

  Show description for e0755c3
  hmcezar

  authored
  e0755c3

Commits on May 21, 2024

• Adds separation in spherical, prolate and oblate aggregates.

  hmcezar

  committed
  3eb2f29

• Cleanup and add std dev for eccentricity.

  hmcezar

  committed
  886d0f8

• Add agg number to summary file name.

  hmcezar

  committed
  2298a7f

• Add eccentricity threshold.

  hmcezar

  committed
  437acaf

Commits on May 23, 2024

• Compute actual RDF for spherical aggregates.

  hmcezar

  committed
  4ad4ef5

• Merge pull request Cascella-Group-UiO#79 from Cascella-Group-UiO/center_update

  Show description for 307420e
  hmcezar

  authored
  307420e

Commits on Sep 5, 2024

• New cluster analysis scripts.

  hmcezar

  committed
  956c54c

• Merge pull request Cascella-Group-UiO#84 from hmcezar/new-cluster-scripts

  Show description for 8f982fc
  hmcezar

  authored
  8f982fc

• Alllow mpirun to oversubscribe to avoid CI errors.

  hmcezar

  committed
  b136a28

• Merge pull request Cascella-Group-UiO#85 from hmcezar/main

  Show description for feea5af
  hmcezar

  authored
  feea5af