maxlevesque/ImportanceOfIndexOrderForMemoryInFortran
Where I compare the time due to various orders of loops index in Fortran
Computes the diffusion coefficient of all species from PIMAIM positions.out
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Where I compare the time due to various orders of loops index in Fortran
Computes the not-diagonal stress correlation function from output files of PIMAIM (xyxzyzstress.out and xxyyzzstress.out)
My workflow to efficiently generate initial configurations for molecular dynamics or Monte Carlos simulations
Computes the autocorrelation of a 3 dimensional vector (like a velocity or a force)