forked from TinkerTools/tinker
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathchgtrn.f
26 lines (26 loc) · 994 Bytes
/
chgtrn.f
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
c
c
c ############################################################
c ## COPYRIGHT (C) 2018 by Joshua Rackers & Jay W. Ponder ##
c ## All Rights Reserved ##
c ############################################################
c
c ###############################################################
c ## ##
c ## module chgtrn -- charge transfer in current structure ##
c ## ##
c ###############################################################
c
c
c nct total number of dispersion sites in the system
c chgct charge for charge transfer at each multipole site
c dmpct charge transfer damping factor at each multipole site
c
c
module chgtrn
implicit none
integer nct
real*8, allocatable :: chgct(:)
real*8, allocatable :: dmpct(:)
save
end