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QuAcK/include/parameters.h
2020-01-17 13:45:02 +01:00

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integer,parameter :: ncart = 3
integer,parameter :: nspin = 2
integer,parameter :: nsp = 3
integer,parameter :: maxEns = 10
integer,parameter :: maxShell = 512
integer,parameter :: n1eInt = 3
integer,parameter :: n2eInt = 4
integer,parameter :: n3eInt = 3
integer,parameter :: n4eInt = 3
integer,parameter :: maxK = 20
double precision,parameter :: threshold = 1d-15
double precision,parameter :: pi = acos(-1d0)
double precision,parameter :: HaToeV = 27.21138602d0
double precision,parameter :: pmtoau = 0.0188973d0
double precision,parameter :: BoToAn = 0.529177249d0