Verify Fortran77 MDBNCH molecular dynamics benchmark translation to Julia#2
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Verify Fortran77 MDBNCH molecular dynamics benchmark translation to Julia#2
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[WIP] Translate Fortran77 molecular dynamics benchmark to Julia
Verify Fortran77 MDBNCH molecular dynamics benchmark translation to Julia
Dec 25, 2025
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The repository already contains a complete translation of the Fortran77 MDBNCH molecular dynamics benchmark to Julia. This PR verifies all translation requirements are met.
Translation Verified
Data structures: Fortran COMMON blocks → Julia mutable structs
/PARTCL/,/VLCTY/,/FORCES/,/PARAMS/→Particles,Velocities,Forces,ParametersFunctions: All 6 subroutines translated with proper Julia conventions
INITPO→initpo!(FCC lattice)INITVL→initvl!(velocity initialization)CALCFO→calcfo!(Lennard-Jones forces)MOVEA/MOVEB→movea!/moveb!(velocity Verlet)VKCALC→vkcalc(kinetic energy)Platform replacements:
SECOND()→time()RANF()→rand()DNINT()→round()Preserved: 1-based indexing, Float64 precision, velocity Verlet algorithm, Lennard-Jones potential, periodic boundaries
Validation
Documentation
Complete documentation suite provided: README.md, DOCUMENTATION.md, TRANSLATION_SUMMARY.md, comprehensive test suite, comparison script.
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