3 SUBROUTINE MLIST(MOLsp
,PBCx
,PBCy
,PBCz
, X0
)
5 INTEGER, PARAMETER :: NM
=16384
7 REAL :: PBCx
, PBCy
, PBCz
, boxjmp
, HALf
=1./2.
11 boxjmp
= PBCx
*INT(X0(1,i
)+SIGN(HALf
,X0(1,i
)))
12 X0(1,i
) = X0(1,i
) - boxjmp
13 boxjmp
= PBCy
*INT(X0(2,i
)+SIGN(HALf
,X0(2,i
)))
14 X0(2,i
) = X0(2,i
) - boxjmp