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nonlin_quadvdw.f90
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nonlin_quadvdw.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 nonlin_quadvdw(res,fquadvdwx)
USE nrtype
USE domain_space, ONLY: n, nmmax
USE vanderwaals, ONLY: quadvdw
IMPLICIT NONE
!!$c get nonlinear part for van der waals term multiplied by quadratic term
!!$
!!$ fquadvdwx(k,l): fquadvdwx at (k-1/2, l)
!!$
REAL(DP), DIMENSION(nmmax), INTENT(IN) :: res
REAL(DP), DIMENSION(nmmax), INTENT(OUT) :: fquadvdwx
INTEGER(I4B) np,k,km
np=n+1
!!$ fquadvdwx(k,l): fquadvdwx at (k-1/2, l)
fquadvdwx(1)=quadvdw(res(1))
DO k=2,n
km=k-1
fquadvdwx(k)=(quadvdw(res(k))+quadvdw(res(km)))/2.0d0
END DO
fquadvdwx(np)=quadvdw(res(n))
RETURN
END SUBROUTINE nonlin_quadvdw