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AmirMasoud
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GMD-26

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[UPLOAD] Dataset with PBE level of theory has been added

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  1. .gitattributes +140 -0
  2. data/Alcohols/OC10H22_PBE.traj +3 -0
  3. data/Alcohols/OC11H24_PBE.traj +3 -0
  4. data/Alcohols/OC12H26_PBE.traj +3 -0
  5. data/Alcohols/OC13H28_PBE.traj +3 -0
  6. data/Alcohols/OC14H30_PBE.traj +3 -0
  7. data/Alcohols/OC15H32_PBE.traj +3 -0
  8. data/Alcohols/OC2H6_PBE.traj +3 -0
  9. data/Alcohols/OC3H8_PBE.traj +3 -0
  10. data/Alcohols/OC4H10_PBE.traj +3 -0
  11. data/Alcohols/OC5H12_PBE.traj +3 -0
  12. data/Alcohols/OC6H14_PBE.traj +3 -0
  13. data/Alcohols/OC7H16_PBE.traj +3 -0
  14. data/Alcohols/OC8H18_PBE.traj +3 -0
  15. data/Alcohols/OC9H20_PBE.traj +3 -0
  16. data/Aldehydes/OC10H20_PBE.traj +3 -0
  17. data/Aldehydes/OC11H22_PBE.traj +3 -0
  18. data/Aldehydes/OC12H24_PBE.traj +3 -0
  19. data/Aldehydes/OC13H26_PBE.traj +3 -0
  20. data/Aldehydes/OC14H28_PBE.traj +3 -0
  21. data/Aldehydes/OC15H30_PBE.traj +3 -0
  22. data/Aldehydes/OC2H4_PBE.traj +3 -0
  23. data/Aldehydes/OC3H6_PBE.traj +3 -0
  24. data/Aldehydes/OC4H8_PBE.traj +3 -0
  25. data/Aldehydes/OC5H10_PBE.traj +3 -0
  26. data/Aldehydes/OC6H12_PBE.traj +3 -0
  27. data/Aldehydes/OC7H14_PBE.traj +3 -0
  28. data/Aldehydes/OC8H16_PBE.traj +3 -0
  29. data/Aldehydes/OC9H18_PBE.traj +3 -0
  30. data/Alkanes/C10H22_PBE.traj +3 -0
  31. data/Alkanes/C11H24_PBE.traj +3 -0
  32. data/Alkanes/C12H26_PBE.traj +3 -0
  33. data/Alkanes/C13H28_PBE.traj +3 -0
  34. data/Alkanes/C14H30_PBE.traj +3 -0
  35. data/Alkanes/C15H32_PBE.traj +3 -0
  36. data/Alkanes/C16H34_PBE.traj +3 -0
  37. data/Alkanes/C17H36_PBE.traj +3 -0
  38. data/Alkanes/C18H38_PBE.traj +3 -0
  39. data/Alkanes/C19H40_PBE.traj +3 -0
  40. data/Alkanes/C20H42_PBE.traj +3 -0
  41. data/Alkanes/C21H44_PBE.traj +3 -0
  42. data/Alkanes/C22H46_PBE.traj +3 -0
  43. data/Alkanes/C23H48_PBE.traj +3 -0
  44. data/Alkanes/C24H50_PBE.traj +3 -0
  45. data/Alkanes/C25H52_PBE.traj +3 -0
  46. data/Alkanes/C26H54_PBE.traj +3 -0
  47. data/Alkanes/C27H56_PBE.traj +3 -0
  48. data/Alkanes/C28H58_PBE.traj +3 -0
  49. data/Alkanes/C29H60_PBE.traj +3 -0
  50. data/Alkanes/C2H6_PBE.traj +3 -0
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