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limits.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 limits -- interaction taper & cutoff distances ##
c ## ##
c ###############################################################
c
c
c vdwcut cutoff distance for van der Waals interactions
c repcut cutoff distance for Pauli repulsion interactions
c dispcut cutoff distance for dispersion interactions
c chgcut cutoff distance for charge-charge interactions
c dplcut cutoff distance for dipole-dipole interactions
c mpolecut cutoff distance for atomic multipole interactions
c ctrncut cutoff distance for charge transfer interactions
c vdwtaper distance at which van der Waals switching begins
c reptaper distance at which Pauli repulsion switching begins
c disptaper distance at which dispersion switching begins
c chgtaper distance at which charge-charge switching begins
c dpltaper distance at which dipole-dipole switching begins
c mpoletaper distance at which atomic multipole switching begins
c ctrntaper distance at which charge transfer switching begins
c ewaldcut cutoff distance for real space Ewald electrostatics
c dewaldcut cutoff distance for real space Ewald dispersion
c usolvcut cutoff distance for dipole solver preconditioner
c use_ewald logical flag governing use of electrostatic Ewald
c use_dewald logical flag governing use of dispersion Ewald
c use_lights logical flag governing use of method of lights
c use_list logical flag governing use of any neighbor lists
c use_vlist logical flag governing use of van der Waals list
c use_dlist logical flag governing use of dispersion list
c use_clist logical flag governing use of charge list
c use_mlist logical flag governing use of multipole list
c use_ulist logical flag governing use of preconditioner list
c
c
module limits
implicit none
real*8 vdwcut,repcut
real*8 dispcut,chgcut
real*8 dplcut,mpolecut
real*8 ctrncut
real*8 vdwtaper,reptaper
real*8 disptaper,chgtaper
real*8 dpltaper,mpoletaper
real*8 ctrntaper
real*8 ewaldcut,dewaldcut
real*8 usolvcut
logical use_ewald,use_dewald
logical use_lights,use_list
logical use_vlist,use_dlist
logical use_clist,use_mlist
logical use_ulist
save
end