NEMO5 Tutorial 4D: NEMO5 Python Solvers

By Daniel F Mejia

Purdue University

Published on

Abstract

This tutorial presents a brief introduction to PythonSolvers, a way to expand NEMO5 functionality using Python. Basic principles and a walk through are presented.

Cite this work

Researchers should cite this work as follows:

  • Daniel F Mejia (2012), "NEMO5 Tutorial 4D: NEMO5 Python Solvers," http://nanohub.org/resources/14707.

    BibTex | EndNote

Time

Location

Burton Morgan 121, Purdue University, West Lafayette, IN

Tags

NEMO5 Tutorial 4D: NEMO5 Python Solvers
  • Extending Nemo 5 using Python scripting 1. Extending Nemo 5 using Python … 0
    00:00/00:00
  • Nemo5 + Python 2. Nemo5 + Python 16.282949616282949
    00:00/00:00
  • Nemo5 + Python 3. Nemo5 + Python 28.595261928595264
    00:00/00:00
  • What is a Meta Solver? 4. What is a Meta Solver? 37.771104437771108
    00:00/00:00
  • What is a Meta Solver? 5. What is a Meta Solver? 61.89522856189523
    00:00/00:00
  • Extending Nemo 5 using Python scripting ( PythonSolver) 6. Extending Nemo 5 using Python … 68.068068068068072
    00:00/00:00
  • Surface Passivation 7. Surface Passivation 83.14981648314982
    00:00/00:00
  • Surface Passivation 8. Surface Passivation 125.0583917250584
    00:00/00:00
  • input deck 9. input deck 161.92859526192859
    00:00/00:00
  • Solver 10. Solver 215.51551551551552
    00:00/00:00
  • Solvers Interaction 11. Solvers Interaction 235.20186853520187
    00:00/00:00
  • Solvers Interaction 12. Solvers Interaction 254.78812145478813
    00:00/00:00
  • New Solver 13. New Solver 265.03169836503173
    00:00/00:00
  • Example: Nemo5 input deck 14. Example: Nemo5 input deck 285.75241908575242
    00:00/00:00
  • Nemo5 input deck 15. Nemo5 input deck 310.31031031031034
    00:00/00:00
  • Python script 16. Python script 377.27727727727728
    00:00/00:00
  • Python script 17. Python script 411.011011011011
    00:00/00:00
  • do_solve 18. do_solve 463.697030363697
    00:00/00:00
  • do_solve 19. do_solve 551.317984651318
    00:00/00:00
  • do_solve 20. do_solve 636.83683683683682
    00:00/00:00
  • do_solve 21. do_solve 682.28228228228227
    00:00/00:00
  • Results of Example 22. Results of Example 713.98064731398063
    00:00/00:00
  • step0.in 23. step0.in 751.38471805138477
    00:00/00:00
  • step0.in 24. step0.in 771.93860527193863
    00:00/00:00
  • Solvers Interaction 25. Solvers Interaction 830.09676343009676
    00:00/00:00
  • Solvers Interaction 26. Solvers Interaction 860.19352686019351
    00:00/00:00
  • step1.in 27. step1.in 885.68568568568571
    00:00/00:00
  • PythonSolvers Interaction 28. PythonSolvers Interaction 945.81247914581252
    00:00/00:00
  • step1.py 29. step1.py 971.47147147147155
    00:00/00:00
  • step1.py 30. step1.py 1000.3670337003671
    00:00/00:00
  • step1.py 31. step1.py 1065.4320987654321
    00:00/00:00
  • step1.py 32. step1.py 1119.6863530196863
    00:00/00:00
  • step1.py 33. step1.py 1239.205872539206
    00:00/00:00
  • Run step1_small.py 34. Run step1_small.py 1254.5211878545213
    00:00/00:00
  • Run step1_small.py 35. Run step1_small.py 1351.6182849516183
    00:00/00:00
  • Run step1_small.py 36. Run step1_small.py 1368.7354020687355
    00:00/00:00
  • visit 37. visit 1444.3777110443778
    00:00/00:00
  • Visit 38. Visit 1516.44978311645
    00:00/00:00
  • Visit 39. Visit 1540.3737070403738
    00:00/00:00
  • step0 vs step1 40. step0 vs step1 1558.9255922589257
    00:00/00:00
  • step0 vs step1 41. step0 vs step1 1569.0357023690358
    00:00/00:00
  • step0 vs step1 42. step0 vs step1 1574.1074407741075
    00:00/00:00
  • Exercise 43. Exercise 1586.8201534868201
    00:00/00:00
  • Edit step1_small.py 44. Edit step1_small.py 1611.1778445111779
    00:00/00:00
  • Edit step1_small.py 45. Edit step1_small.py 1621.5215215215217
    00:00/00:00
  • step0 vs step1 46. step0 vs step1 1717.3840507173841
    00:00/00:00
  • step0 vs step1 47. step0 vs step1 1724.3243243243244
    00:00/00:00
  • ~100 Nemo5 features 48. ~100 Nemo5 features 1755.7891224557891
    00:00/00:00
  • Thanks! 49. Thanks! 1797.7310643977312
    00:00/00:00