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module second_deriv |
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use definitions, only: dp |
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use status, only: error,info,warning |
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implicit none |
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|
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public :: alloc_sec_deriv, dealloc_sec_deriv |
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|
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real(dp),public,allocatable, dimension(:,:) :: d |
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real(dp),public,allocatable, dimension(:) :: evals |
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|
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contains |
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|
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subroutine alloc_sec_deriv(ndim,natoms) |
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integer, intent(in) :: ndim,natoms |
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integer ierror |
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|
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|
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allocate(d(natoms*ndim,natoms*ndim),STAT=ierror) |
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if (ierror /= 0) then |
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call error( 'MALLOC_2DERIV', 'Error in allocating memory') |
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end if |
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d = 0.0_DP |
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|
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end subroutine alloc_sec_deriv |
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|
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subroutine dealloc_sec_deriv() |
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deallocate(d) |
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end subroutine dealloc_sec_deriv |
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|
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subroutine alloc_evals(ndim,natoms) |
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integer, intent(in) :: ndim,natoms |
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integer ierror |
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|
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|
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allocate(evals(natoms*ndim),STAT=ierror) |
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if (ierror /= 0) then |
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call error( 'MALLOC_2DERIV', 'Error in allocating memory') |
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end if |
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evals = 0.0d0 |
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|
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end subroutine alloc_evals |
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|
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subroutine dealloc_evals() |
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deallocate(evals) |
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end subroutine dealloc_evals |
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|
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end module second_deriv |
