introduced pressure debug printf line

diff --git a/moldyn.c b/moldyn.c
index 440a7075d4fe5556e5a679c3a1fc2f8a033c1077..010b8edb3e4bb554f5bc4268f5b3d8d635e4e5f6 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -1709,6 +1709,7 @@ printf("\rsched:%d, steps:%d/%d, T:%4.1f/%4.1f P:%4.1f/%4.1f V:%6.1f (%d)",
        sched->count,i,moldyn->total_steps,
        moldyn->t,moldyn->t_avg,
        moldyn->p/BAR,moldyn->p_avg/BAR,
        sched->count,i,moldyn->total_steps,
        moldyn->t,moldyn->t_avg,
        moldyn->p/BAR,moldyn->p_avg/BAR,

+       //moldyn->p/BAR,(moldyn->p-2.0*moldyn->ekin/(3.0*moldyn->volume))/BAR,

        moldyn->volume,
        (int)(t2.tv_sec-t1.tv_sec));
 
        moldyn->volume,
        (int)(t2.tv_sec-t1.tv_sec));