checkpointing.yaml 1.4 KB

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  1. BaseChkptMol:
  2. superclass: BaseDataClass
  3. doc: |
  4. Base class for checkpointed molecules.
  5. Not to be used directly. All times are in seconds.
  6. items:
  7. - name: id
  8. type: int
  9. - name: species
  10. type: Species*
  11. - name: diffusion_time
  12. type: float
  13. - name: birthday
  14. type: float
  15. - name: flags
  16. type: int
  17. - name: unimol_rxn_time
  18. type: float
  19. default: unset
  20. ChkptVolMol:
  21. superclass: BaseChkptMol
  22. doc: |
  23. Class representing a checkpointed volume molecule.
  24. Not to be used directly.
  25. items:
  26. - name: pos
  27. type: Vec3
  28. ChkptSurfMol:
  29. superclass: BaseChkptMol
  30. doc: |
  31. Class representing a checkpointed surface molecule.
  32. Not to be used directly.
  33. items:
  34. - name: pos
  35. type: Vec2
  36. - name: orientation
  37. type: Orientation
  38. - name: geometry_object
  39. type: GeometryObject*
  40. - name: wall_index
  41. type: int
  42. - name: grid_tile_index
  43. type: int
  44. RngState:
  45. superclass: BaseDataClass
  46. doc: Internal checkpointing structure holding state of the random number generator.
  47. items:
  48. - name: randcnt
  49. type: uint64
  50. - name: aa
  51. type: uint64
  52. - name: bb
  53. type: uint64
  54. - name: cc
  55. type: uint64
  56. - name: randslr
  57. type: List[uint64]
  58. doc: Must contain RNG_SIZE items.
  59. - name: mm
  60. type: List[uint64]
  61. doc: Must contain RNG_SIZE items.
  62. - name: rngblocks
  63. type: uint64
  64. doc: Must contain RNG_SIZE items.