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_s
19 EK=EK*(s_np/s12_np)**2
20 HNose1=Hnose(EK,s12_np,potE,pistar,Q_np,t_bath,dimen)
21 pi_np=pistar+0.5*d_time*(2*EK-dimen*Rb*t_bath)
22 & -0.5*d_time*(HNose1-H0)
24 cd write(iout,'(a,4f)') 'mmm',EK,potE,HNose1,pi_np
25 d_time_s=d_time*0.5*s12_np
28 d_t(j,0)=d_t_new(j,0)+d_a(j,0)*d_time_s
32 d_t(j,i)=d_t_new(j,i)+d_a(j,i)*d_time_s
36 if (itype(i).ne.10) then
39 d_t(j,inres)=d_t_new(j,inres)+d_a(j,inres)*d_time_s