[Q-e-commits] r8261 - trunk/espresso/PW

[marsamos at democritos.it]

Author: marsamos
Date: 2011-11-21 12:10:31 +0100 (Mon, 21 Nov 2011)
New Revision: 8261

Modified:
   trunk/espresso/PW/forces.f90
Log:
New MS2 part added to forces. Contribution from Changru Ma.



Modified: trunk/espresso/PW/forces.f90
===================================================================
--- trunk/espresso/PW/forces.f90	2011-11-21 09:23:48 UTC (rev 8260)
+++ trunk/espresso/PW/forces.f90	2011-11-21 11:10:31 UTC (rev 8261)
@@ -210,6 +210,18 @@
         !
      END DO
      !
+#ifdef __MS2
+     !
+     ! ... impose total force of the quantum subsystem /= 0
+     !
+     DO na = 1, nat
+        !
+        force(ipol,na) = force(ipol,na) + sumfor / DBLE( nat )
+        !
+     END DO
+     !
+#endif
+     !
   END DO
   !
   ! ... resymmetrize (should not be needed, but ...)