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libAtoms / pymatnest Public

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pymatnest

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Wang_LJ_params_mod.F90

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9 lines (8 loc) · 287 Bytes

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pymatnest

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Wang_LJ_params_mod.F90

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9 lines (8 loc) · 287 Bytes

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module Wang_LJ_params_mod

integer, parameter :: N_Z = 2

double precision :: epsilon(N_Z,N_Z)

double precision :: sigma(N_Z, N_Z)

double precision :: cutoff(N_Z,N_Z), cutoff_sq(N_Z,N_Z)

double precision :: alpha(N_Z,N_Z)

integer :: mu, nu

end module Wang_LJ_params_mod

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