1 c-----------------------------------------------------------------
3 c Applying velocity Verlet algorithm - step 1 to coordinates
4 implicit real*8 (a-h,o-z)
6 include 'COMMON.CONTROL'
10 include 'COMMON.DERIV'
12 include 'COMMON.LOCAL'
13 include 'COMMON.INTERACT'
14 include 'COMMON.IOUNITS'
15 include 'COMMON.NAMES'
16 double precision adt,adt2
19 adt=d_a_old(j,0)*d_time
21 dc(j,0)=dc_old(j,0)+(d_t_old(j,0)+adt2)*d_time
22 d_t_new(j,0)=d_t_old(j,0)+adt2
23 d_t(j,0)=d_t_old(j,0)+adt
27 adt=d_a_old(j,i)*d_time
29 dc(j,i)=dc_old(j,i)+(d_t_old(j,i)+adt2)*d_time
30 d_t_new(j,i)=d_t_old(j,i)+adt2
31 d_t(j,i)=d_t_old(j,i)+adt
35 if (itype(i).ne.10) then
38 adt=d_a_old(j,inres)*d_time
40 dc(j,inres)=dc_old(j,inres)+(d_t_old(j,inres)+adt2)*d_time
41 d_t_new(j,inres)=d_t_old(j,inres)+adt2
42 d_t(j,inres)=d_t_old(j,inres)+adt