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PR: Code Refactor #60

Merged
merged 1 commit into from
Jan 21, 2025
Merged

PR: Code Refactor #60

merged 1 commit into from
Jan 21, 2025

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Zhaoli2042
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  1. MC moves refactor
  2. MC_MOVE class: Every move is divided into different stages: preparation, calculation, and acceptance.
    • Adding modifications made easier
  3. small optimization for CBMC. 5% speed up Examples:
  4. Re-calculated examples: output are saved to output.txt in each example folder.
    • As long as order of random numbers are preserved, simulation should give the same result everywhere, and correctness is gaurenteed
  5. Allegro/LCLin ML potential example revisited, LCLin small bug fix

@Zhaoli2042
Code Refactor:
2beec55 
1. MC moves refactor
2. MC_MOVE class: Every move is divided into different stages: preparation, calculation, and acceptance.
   * Adding modifications made easier
3. small optimization for CBMC. 5% speed up
Examples:
1. Re-calculated examples: output are saved to output.txt in each example folder.
   * As long as order of random numbers are preserved, simulation should give the same result everywhere, and correctness is gaurenteed
2. Allegro/LCLin ML potential example revisited, LCLin small bug fix
@Zhaoli2042 Zhaoli2042 merged commit 2b9c6e9 into snurr-group:main Jan 21, 2025
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@Zhaoli2042