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31 lines
1.5 KiB
Fortran
31 lines
1.5 KiB
Fortran
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BEGIN_PROVIDER [double precision, mo_deriv_1_x , (mo_num,mo_num)]
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&BEGIN_PROVIDER [double precision, mo_deriv_1_y , (mo_num,mo_num)]
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&BEGIN_PROVIDER [double precision, mo_deriv_1_z , (mo_num,mo_num)]
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BEGIN_DOC
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! array of the integrals of MO_i * d/dx MO_j
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! array of the integrals of MO_i * d/dy MO_j
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! array of the integrals of MO_i * d/dz MO_j
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END_DOC
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implicit none
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call ao_to_mo( &
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ao_deriv_1_x, &
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size(ao_deriv_1_x,1), &
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mo_deriv_1_x, &
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size(mo_deriv_1_x,1) &
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)
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call ao_to_mo( &
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ao_deriv_1_y, &
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size(ao_deriv_1_y,1), &
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mo_deriv_1_y, &
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size(mo_deriv_1_y,1) &
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)
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call ao_to_mo( &
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ao_deriv_1_z, &
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size(ao_deriv_1_z,1), &
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mo_deriv_1_z, &
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size(mo_deriv_1_z,1) &
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)
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END_PROVIDER
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