Skip to content

Commit f93f8fa

Browse files
committed
fix rotational correction in mdrest
1 parent 27a82e9 commit f93f8fa

File tree

1 file changed

+3
-3
lines changed

1 file changed

+3
-3
lines changed

src/acc/mdintg.cpp

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -148,9 +148,9 @@ void mdrest_acc(int istep)
148148
pos_prec xdel = xpos[i] - xtot;
149149
pos_prec ydel = ypos[i] - ytot;
150150
pos_prec zdel = zpos[i] - ztot;
151-
vx[i] -= vang[1] * zdel + vang[2] * ydel;
152-
vy[i] -= vang[2] * xdel + vang[0] * zdel;
153-
vz[i] -= vang[0] * ydel + vang[1] * xdel;
151+
vx[i] = vx[i] - vang[1] * zdel + vang[2] * ydel;
152+
vy[i] = vy[i] - vang[2] * xdel + vang[0] * zdel;
153+
vz[i] = vz[i] - vang[0] * ydel + vang[1] * xdel;
154154
}
155155

156156
// print the angular velocity of the overall system

0 commit comments

Comments
 (0)