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Nonbonded kernel#194

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Peppone98 wants to merge 7 commits intomasterJuliaMolSim/Molly.jl:masterfrom nonbonded-kernelJuliaMolSim/Molly.jl:nonbonded-kernelCopy head branch name to clipboard

+1,124-125

Commits

Commits on Dec 4, 2024

• force and energy kernels with Eastman's algorithm

  Peppone98

  committed
  a1311ce

Commits on Dec 5, 2024

• functions forces and potential_energy modified based on NotGradients tests

  Peppone98

  committed
  ab5b297

Commits on Dec 10, 2024

• Adjusted force kernel

  Peppone98

  committed
  0d0b7f5

Commits on Dec 11, 2024

• Protein.jl tests successfully passed

  Peppone98

  committed
  769530d

Commits on Dec 13, 2024

• up to tests in basic.jl line 187

  Peppone98

  committed
  b1ada3c

Commits on Dec 18, 2024

• NotGradients tests successfully passed

  Peppone98

  committed
  b79ff1a

Commits on Dec 19, 2024

• removed inline flag to speed up simulators

  Peppone98

  committed
  0fd0f88