Commits · main · Ricard Rodríguez / Molecular Dynamics simulation of Simple Fluids with Langevin and DPD Models · GitLab

Apr 29, 2025
- dpd: Allocate forces_aux · 823b16c1
  Ricard Rodríguez authored Apr 30, 2025
  
  823b16c1
- dpd: update forces computation · d9c65adb
  Ricard Rodríguez authored Apr 30, 2025
  
  d9c65adb
- DPD: Make rf_random_fluctuation() use dpd_rf_amplitude as stddev · c82a05f6
  Ricard Rodríguez authored Apr 29, 2025
  
  c82a05f6
Apr 28, 2025
- dpd: Update dpd force computation · e54f5c66
  Ricard Rodríguez authored Apr 29, 2025
  e54f5c66
Apr 13, 2025
- Implement a DPD forces module · 3963a24e
  Ricard Rodríguez authored Apr 13, 2025
  3963a24e
Apr 12, 2025
- Create a separate module for random number generation · 2014781b
  Ricard Rodríguez authored Apr 12, 2025
  
  2014781b
Apr 09, 2025
- Fix plot.sh prints · 4496bba1
  Ricard Rodríguez authored Apr 09, 2025
  
  4496bba1
- Add clarifications to input_parameters.in · bab72b1d
  Ricard Rodríguez authored Apr 09, 2025
  
  bab72b1d
- dpd: Fix particle density print · 679a04f9
  Ricard Rodríguez authored Apr 09, 2025
  
  679a04f9
Apr 08, 2025
- Minor fixes and updates to the DPD simulation program · 1dc2953a
  Ricard Rodríguez authored Apr 08, 2025
  1dc2953a
- Update time-step integrators · 43242d6b
  Ricard Rodríguez authored Apr 08, 2025
  43242d6b
- langevin: Update system evolution system evolution status print · 3d6bdad5
  Ricard Rodríguez authored Apr 08, 2025
  
  3d6bdad5
- Update RDF and RMSD plots · f9e30f80
  Ricard Rodríguez authored Apr 08, 2025
  f9e30f80
- Rename energy and temperature plot output · 266e5a03
  Ricard Rodríguez authored Apr 08, 2025
  
  266e5a03
Apr 05, 2025
- Fix Velocity-Verlet integrator · cdf2861d
  Ricard Rodríguez authored Apr 05, 2025
  
  cdf2861d
- Add only statement for the post-trajectory analysis module · 5f188639
  Ricard Rodríguez authored Apr 05, 2025
  
  5f188639
Apr 01, 2025
- langevin.f90: load only the necessary timestep integrators · 2bf678b2
  Ricard Rodríguez authored Apr 01, 2025
  
  2bf678b2
- Update README · 3764cc9f
  Ricard Rodríguez authored Apr 01, 2025
  
  3764cc9f
Mar 31, 2025
- Fix error with Box-Muller random number generation · bedf7fdd
  Ricard Rodríguez authored Mar 31, 2025
  bedf7fdd
- Rename old plot.sh script · 0f2a5c6b
  Ricard Rodríguez authored Mar 31, 2025
  0f2a5c6b
- Avoid trying to move .out files · bb27983d
  Ricard Rodríguez authored Mar 31, 2025
  bb27983d
- Update plotting scripts · f6d00c5b
  Ricard Rodríguez authored Mar 31, 2025
  f6d00c5b
- Implement dynamic output filename generation for each of the 2 programs · 30645870
  Ricard Rodríguez authored Mar 31, 2025
  30645870
- langevin: Use BAOAB integrator and set initial velocities according to temperature · 076a5571
  Ricard Rodríguez authored Mar 31, 2025
  076a5571
- Add subroutine to assign velocities using a bimodal distribution · c7dd3fbf
  Ricard Rodríguez authored Mar 31, 2025
  c7dd3fbf
Mar 30, 2025
- Fix out of boundaries error in post_trajectory_analysis.f90 · 48bab705
  Ricard Rodríguez authored Mar 30, 2025
  
  48bab705
- langevin_forces.f90: Use Box-Muller to compute the stochastic force · 9dfd85be
  Ricard Rodríguez authored Mar 30, 2025
  
  9dfd85be
- Add BAOAB time-step integrator · 30ec8486
  Ricard Rodríguez authored Mar 30, 2025
  
  30ec8486
- Update plotting scripts · f6374f73
  Ricard Rodríguez authored Mar 30, 2025
  f6374f73
- Update input_parameters.in values · 38669cc7
  Ricard Rodríguez authored Mar 30, 2025
  38669cc7
- post_trajectory_analysis: Fix RDF computation · 9240b85b
  Ricard Rodríguez authored Mar 30, 2025
  9240b85b
Mar 28, 2025
- Uncomment Langevin force contributions · c934e87b
  Ricard Rodríguez authored Mar 28, 2025
  c934e87b
- Use iso_fortran_env in the post-trajectory analysis module · 5c97a318
  Ricard Rodríguez authored Mar 28, 2025
  
  5c97a318
Mar 27, 2025
- Remove positions file header line · 17fc7d32
  Ricard Rodríguez authored Mar 28, 2025
  17fc7d32
- Remove unused old Lennard-Jones module · fdb86ac4
  Ricard Rodríguez authored Mar 27, 2025
  
  fdb86ac4
- Implement Langevin forces computation · 7cddf8ca
  Ricard Rodríguez authored Mar 27, 2025
  7cddf8ca
Mar 24, 2025
- Update gitignore · 1b2e02bf
  Ricard Rodríguez authored Mar 24, 2025
  1b2e02bf
- Remove unused variable from post-trajectory analysis · 74ad56b3
  Ricard Rodríguez authored Mar 24, 2025
  74ad56b3
- Minor code style changes · 3ab14d0d
  Ricard Rodríguez authored Mar 24, 2025
  3ab14d0d
- Update Makefile · d85f9d9a
  Ricard Rodríguez authored Mar 24, 2025
  
  d85f9d9a