1c
2c
3c     ###################################################
4c     ##  COPYRIGHT (C)  1992  by  Jay William Ponder  ##
5c     ##              All Rights Reserved              ##
6c     ###################################################
7c
8c     #################################################################
9c     ##                                                             ##
10c     ##  module pistuf  --  bond order-related pisystem parameters  ##
11c     ##                                                             ##
12c     #################################################################
13c
14c
15c     bkpi     bond stretch force constants for pi-bond order of 1.0
16c     blpi     ideal bond length values for a pi-bond order of 1.0
17c     kslope   rate of force constant decrease with bond order decrease
18c     lslope   rate of bond length increase with a bond order decrease
19c     torsp2   2-fold torsional energy barrier for pi-bond order of 1.0
20c
21c
22      module pistuf
23      implicit none
24      real*8, allocatable :: bkpi(:)
25      real*8, allocatable :: blpi(:)
26      real*8, allocatable :: kslope(:)
27      real*8, allocatable :: lslope(:)
28      real*8, allocatable :: torsp2(:)
29      save
30      end
31