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term_vdw.f90
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term_vdw.f90
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! BSD 2-Clause License
!
! Copyright (c) [2019] [Valeria Barra]
! All rights reserved.
!
! Redistribution and use in source and binary forms, with or without
! modification, are permitted provided that the following conditions are met:
!
! 1. Redistributions of source code must retain the above copyright notice, this
! list of conditions and the following disclaimer.
!
! 2. Redistributions in binary form must reproduce the above copyright notice,
! this list of conditions and the following disclaimer in the documentation
! and/or other materials provided with the distribution.
!
! THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
! ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
! WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
! DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
! ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
! (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
! LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
! ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
! (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
! SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
SUBROUTINE term_vdw(fvdwx,hx,func_vdw)
USE nrtype
USE domain_space, ONLY: n,nmmax
USE paras, ONLY: coef_vdw,dx2
IMPLICIT NONE
!!$ this subroutine computes the second order spatial derivative of the van der Waals term
REAL(DP), DIMENSION(nmmax), INTENT(IN) :: fvdwx,hx
REAL(DP), DIMENSION(nmmax), INTENT(OUT) :: func_vdw
REAL(DP) :: ccx2
INTEGER(I4B) :: k,kp
ccx2=coef_vdw/dx2
DO k=1,n
kp=k+1
func_vdw(k)=ccx2*(fvdwx(kp)*hx(kp)-fvdwx(k)*hx(k))
END DO
RETURN
END SUBROUTINE term_vdw