Merge "fixed incorrect scaling of cos-acceleration viscosity" into release-4-6
authorChristoph Junghans <junghans@votca.org>
Wed, 15 May 2013 19:53:56 +0000 (21:53 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 15 May 2013 19:53:56 +0000 (21:53 +0200)
src/mdlib/mdebin.c

index 7fdfa7bba462a2e36fe343c8df787529c2cbdd16..0bd097945f2fc1de810db42ada767eb5b2f99c2b 100644 (file)
@@ -1091,7 +1091,7 @@ void upd_mdebin(t_mdebin       *md,
         add_ebin(md->ebin, md->ivcos, 1, &(ekind->cosacc.vcos), bSum);
         /* 1/viscosity, unit 1/(kg m^-1 s^-1) */
         tmp = 1/(ekind->cosacc.cos_accel/(ekind->cosacc.vcos*PICO)
-                 *dens*vol*sqr(box[ZZ][ZZ]*NANO/(2*M_PI)));
+                 *dens*sqr(box[ZZ][ZZ]*NANO/(2*M_PI)));
         add_ebin(md->ebin, md->ivisc, 1, &tmp, bSum);
     }
     if (md->nE > 1)