diff --git a/examples/colloid/in.colloid b/examples/colloid/in.colloid index 589b4478e31ebc0d5e7f3f3b0833c0508aff857a..27e6e32f4e348363e5cd5b1cbaf03fd9be178d26 100644 --- a/examples/colloid/in.colloid +++ b/examples/colloid/in.colloid @@ -29,7 +29,8 @@ pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5 pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0 pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5 -fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 +fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 & + mtk no pchain 0 tchain 1 fix 2 all enforce2d dump 1 all atom 200 dump.colloid diff --git a/examples/ellipse/in.ellipse.gayberne b/examples/ellipse/in.ellipse.gayberne index 870c7bfe2bab02a10858d9b547fd7db88c775276..b739082994095a0889ec4f9e25edbab6db6c423a 100644 --- a/examples/ellipse/in.ellipse.gayberne +++ b/examples/ellipse/in.ellipse.gayberne @@ -47,7 +47,8 @@ dump 1 all custom 100 dump.ellipse.gayberne & #dump 1 all custom 100 dump.ellipse.resquared & # id type x y z quatw quati quatj quatk -fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 +fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 & + mtk no pchain 0 tchain 1 fix 2 all enforce2d compute_modify 1_temp extra ${dof} diff --git a/examples/ellipse/in.ellipse.resquared b/examples/ellipse/in.ellipse.resquared index 2843dfd701351426ba2d0bd51782edd29034ad1d..c7a2030f9ee41ae1890d72b1eb7a9c20d64af993 100644 --- a/examples/ellipse/in.ellipse.resquared +++ b/examples/ellipse/in.ellipse.resquared @@ -47,7 +47,8 @@ timestep 0.002 dump 1 all custom 100 dump.ellipse.resquared & id type x y z quatw quati quatj quatk -fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 +fix 1 all npt/asphere temp 2.0 2.0 0.1 iso 0.0 1.0 1.0 & + mtk no pchain 0 tchain 1 fix 2 all enforce2d compute_modify 1_temp extra ${dof} diff --git a/examples/min/in.min.box b/examples/min/in.min.box index 9850309034917d8212e4e7e07a6f4e2e4f4927af..509d78d12e7b8498f4b7fd6e10a2eaef5bb4d3ab 100644 --- a/examples/min/in.min.box +++ b/examples/min/in.min.box @@ -36,9 +36,9 @@ dump_modify 1 every 25 thermo 50 minimize 1.0e-6 0.001 1000 10000 -fix 3 all box/relax x 1.0 y 2.0 vmax 1.0e-4 nreset 1000 +fix 3 all box/relax x 1.0 y 2.0 vmax 1.0e-4 nreset 100 thermo_style custom step temp pe pxx pyy pxy min_modify line quadratic -minimize 0.0 1.0e-3 10000 100000 +minimize 0.0 1.0e-6 10000 100000