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deriv.f
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c
c
c ###################################################
c ## COPYRIGHT (C) 1992 by Jay William Ponder ##
c ## All Rights Reserved ##
c ###################################################
c
c ###############################################################
c ## ##
c ## module deriv -- Cartesian coord derivative components ##
c ## ##
c ###############################################################
c
c
c desum total energy Cartesian coordinate derivatives
c deb bond stretch Cartesian coordinate derivatives
c dea angle bend Cartesian coordinate derivatives
c deba stretch-bend Cartesian coordinate derivatives
c deub Urey-Bradley Cartesian coordinate derivatives
c deaa angle-angle Cartesian coordinate derivatives
c deopb out-of-plane bend Cartesian coordinate derivatives
c deopd out-of-plane distance Cartesian coordinate derivatives
c deid improper dihedral Cartesian coordinate derivatives
c deit improper torsion Cartesian coordinate derivatives
c det torsional Cartesian coordinate derivatives
c dept pi-system torsion Cartesian coordinate derivatives
c debt stretch-torsion Cartesian coordinate derivatives
c deat angle-torsion Cartesian coordinate derivatives
c dett torsion-torsion Cartesian coordinate derivatives
c dev van der Waals Cartesian coordinate derivatives
c der Pauli repulsion Cartesian coordinate derivatives
c dedsp damped dispersion Cartesian coordinate derivatives
c dec charge-charge Cartesian coordinate derivatives
c decd charge-dipole Cartesian coordinate derivatives
c ded dipole-dipole Cartesian coordinate derivatives
c dem multipole Cartesian coordinate derivatives
c dep polarization Cartesian coordinate derivatives
c dect charge transfer Cartesian coordinate derivatives
c derxf reaction field Cartesian coordinate derivatives
c des solvation Cartesian coordinate derivatives
c delf metal ligand field Cartesian coordinate derivatives
c deg geometric restraint Cartesian coordinate derivatives
c dex extra energy term Cartesian coordinate derivatives
c
c
module deriv
implicit none
real*8, allocatable :: desum(:,:)
real*8, allocatable :: deb(:,:)
real*8, allocatable :: dea(:,:)
real*8, allocatable :: deba(:,:)
real*8, allocatable :: deub(:,:)
real*8, allocatable :: deaa(:,:)
real*8, allocatable :: deopb(:,:)
real*8, allocatable :: deopd(:,:)
real*8, allocatable :: deid(:,:)
real*8, allocatable :: deit(:,:)
real*8, allocatable :: det(:,:)
real*8, allocatable :: dept(:,:)
real*8, allocatable :: debt(:,:)
real*8, allocatable :: deat(:,:)
real*8, allocatable :: dett(:,:)
real*8, allocatable :: dev(:,:)
real*8, allocatable :: der(:,:)
real*8, allocatable :: dedsp(:,:)
real*8, allocatable :: dec(:,:)
real*8, allocatable :: decd(:,:)
real*8, allocatable :: ded(:,:)
real*8, allocatable :: dem(:,:)
real*8, allocatable :: dep(:,:)
real*8, allocatable :: dect(:,:)
real*8, allocatable :: derxf(:,:)
real*8, allocatable :: des(:,:)
real*8, allocatable :: delf(:,:)
real*8, allocatable :: deg(:,:)
real*8, allocatable :: dex(:,:)
save
end