1 c---------------------------------------------------------------------
3 c Step 2 of the velocity Verlet algorithm: update velocities
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'
17 double precision d_time_s12
28 d_time_s12=0.5d0*s12_np*d_time
31 d_t(j,0)=d_t_new(j,0)+d_a(j,0)*d_time_s12
35 d_t(j,i)=d_t_new(j,i)+d_a(j,i)*d_time_s12
39 if (itype(i).ne.10) then
42 d_t(j,inres)=d_t_new(j,inres)+d_a(j,inres)*d_time_s12
47 cd write(iout,*) 'pistar',pistar,EK,E_old,potE,s12_np
48 pistar=pistar+(EK-0.5*(E_old+potE)
49 & -dimen*Rb*t_bath*log(s12_np)+H0-dimen*Rb*t_bath)*d_time
50 tmp=1+pistar/(2*Q_np)*0.5*d_time