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c include file defining common /cscf/
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c constant parameters are set in cscf, parameters are set
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c maxatom = maximum no. of atoms (constant parameter)
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c maxnbfn = maximum no. of bas. fnct.(constant parameter)
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c maxnnbfn = maxnbfn*(maxnbfn+1)/2 (constant parameter)
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c natom = no. of atoms (parameter)
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c nbfn = no. of basis functions (parameter)
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c nnbfn = nbfn*(nbfn+1)/2 (parameter)
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c nocc = no. of occupied orbitals (parameter)
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c mxiter = maximim no. of iterations(constant parameter)
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c tol = convergence criterion (constant parameter)
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c pi = a familiar constant (constant parameter)
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c tol2e = 2-e integral screening (constant parameter)
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c the remainder is initialized in block data or in the
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c routine ininrm (rnorm and iky)
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c enrep = nuclear repulsion energy
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c q(1:natom) = nuclear charge of atom
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c ax(1:natom) = x co-ordinate of atom
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c x(1:nbfn) = x co-ordinate of basis function
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c expnt(1:nbfn)= exponent of gaussian
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c rnorm(1:nbfn)= normalization constant of gaussian
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c iky(1:nbfn) = iky(i) = i*(i-1)/2 to speed up fock build
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c icut1 = no. of successful ij 2-e screening tests
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c icut2 = no. of successful ijkl 2-e screening tests
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c icut3 = no. of 2-e integrals computed
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parameter (maxatom = 286) !cste original value 50
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parameter (maxnbfn =15*maxatom, mxiter = 30)
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parameter (maxnnbfn = maxnbfn*(maxnbfn+1)/2)
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parameter (pi = 3.141592653589793d0)
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parameter (tol= 0.5d-3)
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parameter (tol2e=1.0d-6)
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$ enrep, q(maxatom), ax(maxatom), ay(maxatom), az(maxatom),
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$ x(maxnbfn), y(maxnbfn), z(maxnbfn), expnt(maxnbfn),
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$ rnorm(maxnbfn),iky(maxnbfn), icut1, icut2, icut3, icut4,
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$ natom, nocc, nbfn, nnbfn
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double precision enrep, q, ax, ay, az, x, y, z, expnt, rnorm
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integer*8 iky, icut1, icut2, icut3, icut4, natom, nocc, nbfn,
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c Global array parameters used in calculations:
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c ichunk: chunk size for distributing workload
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c g_counter: global array used to assign next task
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c g_dens: global array used to store density matrix
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c g_fock: global array used to store fock matrix
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c g_tfock: global array used to store transformed fock matrix
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c g_schwarz: global array used to store schwarz matrix
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c g_work: global array used to store work matrix
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c g_ident: global array used to store identity matrix
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c g_orbs: global array used to store orbital vectors
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parameter (ichunk = 20) !cste original value 10
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common /g_arrays/ eigv(maxnbfn),
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$ g_counter, g_dens, g_fock, g_tfock, g_schwarz, g_work,
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integer g_counter, g_dens, g_fock, g_tfock, g_schwarz, g_work,