diff --git a/examples/meam/in.meam b/examples/meam/in.meam index 7ad2a20ff0..b4463be365 100644 --- a/examples/meam/in.meam +++ b/examples/meam/in.meam @@ -19,8 +19,12 @@ timestep 0.001 #dump 1 all atom 50 dump.meam -#dump 1 all image 10 image.*.jpg element element & +#dump 2 all image 10 image.*.jpg element element & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 element Si C +#dump_modify 2 pad 3 element Si C + +#dump 3 all movie 10 movie.mpg element element & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 element Si C run 100 diff --git a/examples/meam/in.meam.shear b/examples/meam/in.meam.shear index 8d55227ae8..5165d9432a 100644 --- a/examples/meam/in.meam.shear +++ b/examples/meam/in.meam.shear @@ -64,9 +64,13 @@ fix_modify 3 temp new2d #dump 1 all atom 500 dump.meam.shear -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 -#dump_modify 1 pad 4 +#dump_modify 2 pad 4 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 +#dump_modify 3 pad 4 thermo 100 thermo_modify temp new2d diff --git a/examples/melt/in.melt b/examples/melt/in.melt index 964f1565bb..8431a4344e 100644 --- a/examples/melt/in.melt +++ b/examples/melt/in.melt @@ -21,9 +21,13 @@ fix 1 all nve #dump id all atom 50 dump.melt -#dump 1 all image 25 image.*.jpg type type & +#dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 25 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 thermo 50 run 250 diff --git a/examples/micelle/in.micelle b/examples/micelle/in.micelle index c1ece0b585..78e5a1b47f 100644 --- a/examples/micelle/in.micelle +++ b/examples/micelle/in.micelle @@ -57,13 +57,16 @@ pair_coeff 1 4 1.0 1.0 1.12246 pair_coeff 2 3 1.0 0.88 1.12246 pair_coeff 2 4 1.0 0.75 1.12246 - +image thermo 1000 #dump 1 all atom 2000 dump.micelle -#dump 1 all image 2000 image.*.jpg type type zoom 1.6 -#dump_modify 1 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75 +#dump 2 all image 2000 image.*.jpg type type zoom 1.6 +#dump_modify 2 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75 + +#dump 3 all movie 2000 movie.mpg type type zoom 1.6 +#dump_modify 3 pad 5 adiam 1 0.5 adiam 2 1.5 adiam 3 1.0 adiam 4 0.75 reset_timestep 0 run 60000 diff --git a/examples/msst/in.msst b/examples/msst/in.msst index 880e990fc5..d9fee2977e 100644 --- a/examples/msst/in.msst +++ b/examples/msst/in.msst @@ -49,8 +49,12 @@ thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal & #dump id all atom 50 dump.msst -#dump 1 all image 25 image.*.jpg type type & +#dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 25 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 run 100 diff --git a/examples/nemd/in.nemd b/examples/nemd/in.nemd index c4a9b6e859..af3e4bed82 100644 --- a/examples/nemd/in.nemd +++ b/examples/nemd/in.nemd @@ -26,8 +26,11 @@ fix 2 all deform 1 xy erate 0.01 remap v #dump 1 all custom 5000 dump.nemd id type x y z -#dump 1 all image 1000 image.*.jpg type type adiam 1.2 -#dump_modify 1 pad 5 +#dump 2 all image 1000 image.*.jpg type type adiam 1.2 +#dump_modify 2 pad 5 + +#dump 3 all movie 1000 movie.mpg type type adiam 1.2 +#dump_modify 3 pad 5 thermo 1000 diff --git a/examples/obstacle/in.obstacle b/examples/obstacle/in.obstacle index d6a6cf4602..ea8f2a4e1d 100644 --- a/examples/obstacle/in.obstacle +++ b/examples/obstacle/in.obstacle @@ -70,8 +70,12 @@ thermo_modify temp mobile #dump 1 all atom 100 dump.obstacle -#dump 1 all image 500 image.*.jpg type type & +#dump 2 all image 500 image.*.jpg type type & # zoom 1.6 adiam 1.5 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 500 movie.mpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 3 pad 5 run 25000 diff --git a/examples/peptide/in.peptide b/examples/peptide/in.peptide index cabed5bd26..1a4bc6df31 100644 --- a/examples/peptide/in.peptide +++ b/examples/peptide/in.peptide @@ -27,9 +27,13 @@ group peptide type <= 12 #dump 1 peptide atom 10 dump.peptide -#dump 1 peptide image 25 image.*.jpg type type & +#dump 2 peptide image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 bond atom 0.5 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 peptide movie 25 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 bond atom 0.5 +#dump_modify 3 pad 3 #compute bnd all property/local btype batom1 batom2 #dump 2 peptide local 300 dump.bond index c_bnd[1] c_bnd[2] c_bnd[3] diff --git a/examples/peri/in.peri b/examples/peri/in.peri index f382975fc2..e1cbe2e501 100644 --- a/examples/peri/in.peri +++ b/examples/peri/in.peri @@ -34,8 +34,12 @@ thermo 100 #dump 1 all custom 100 dump.peri id type x y z c_1 -#dump 1 all image 50 image.*.jpg type type & +#dump 2 all image 50 image.*.jpg type type & # axes yes 0.8 0.02 view 80 -30 adiam 0.0006 -#dump_modify 1 pad 4 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 adiam 0.0006 +#dump_modify 3 pad 4 run 1000 diff --git a/examples/pour/in.pour b/examples/pour/in.pour index 9e7871dd74..d1b86daaef 100644 --- a/examples/pour/in.pour +++ b/examples/pour/in.pour @@ -37,9 +37,13 @@ compute_modify thermo_temp dynamic yes #dump id all atom 1000 dump.pour -#dump 1 all image 1000 image.*.jpg type type & +#dump 2 all image 1000 image.*.jpg type type & # axes yes 0.8 0.02 view 80 -30 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 1000 movie.mpg type type & +# axes yes 0.8 0.02 view 80 -30 +#dump_modify 3 pad 5 run 25000 diff --git a/examples/pour/in.pour.2d b/examples/pour/in.pour.2d index 98541d6d87..18cc728e9d 100644 --- a/examples/pour/in.pour.2d +++ b/examples/pour/in.pour.2d @@ -43,8 +43,12 @@ compute_modify thermo_temp dynamic yes #dump id all atom 250 dump.pour -#dump 1 all image 500 image.*.jpg type type & +#dump 2 all image 500 image.*.jpg type type & # zoom 1.6 adiam 1.5 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 500 movie.mpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 3 pad 5 run 25000 diff --git a/examples/pour/in.pour.2d.molecule b/examples/pour/in.pour.2d.molecule index 661d5e74ed..bffbd918f5 100644 --- a/examples/pour/in.pour.2d.molecule +++ b/examples/pour/in.pour.2d.molecule @@ -50,12 +50,12 @@ compute_modify thermo_temp dynamic yes #dump id all atom 100 tmp.dump -dump 1 all image 250 image.*.jpg type type & - zoom 1.6 adiam 1.5 -dump_modify 1 pad 5 - -#dump 1 all movie 250 movie.mpg type type & +#dump 2 all image 250 image.*.jpg type type & # zoom 1.6 adiam 1.5 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 250 movie.mpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 3 pad 5 run 25000 diff --git a/examples/reax/in.reax.rdx b/examples/reax/in.reax.rdx index 6f3717ba61..768b8e4546 100644 --- a/examples/reax/in.reax.rdx +++ b/examples/reax/in.reax.rdx @@ -41,8 +41,12 @@ timestep 1.0 #dump 1 all custom 10 dump.reax.rdx id type q xs ys zs -#dump 1 all image 25 image.*.jpg type type & +#dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 25 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 run 100 diff --git a/examples/reax/in.reax.tatb b/examples/reax/in.reax.tatb index 5ae5f6d197..a9a4cd9e5e 100644 --- a/examples/reax/in.reax.tatb +++ b/examples/reax/in.reax.tatb @@ -40,9 +40,13 @@ timestep 0.0625 #dump 1 all custom 100 dump.reax.tatb id type q x y z -#dump 1 all image 5 image.*.jpg type type & +#dump 2 all image 5 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 5 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 fix 2 all reax/bonds 25 bonds.reax.tatb diff --git a/examples/reax/in.reaxc.rdx b/examples/reax/in.reaxc.rdx index 4794bb6a5a..4874ea2dbb 100644 --- a/examples/reax/in.reaxc.rdx +++ b/examples/reax/in.reaxc.rdx @@ -41,8 +41,12 @@ timestep 1.0 #dump 1 all atom 10 dump.reaxc.rdx -#dump 1 all image 25 image.*.jpg type type & +#dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 25 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 run 100 diff --git a/examples/reax/in.reaxc.tatb b/examples/reax/in.reaxc.tatb index 8e14064d2f..a166613b85 100644 --- a/examples/reax/in.reaxc.tatb +++ b/examples/reax/in.reaxc.tatb @@ -42,9 +42,13 @@ timestep 0.0625 #dump 1 all custom 100 dump.reaxc.tatb id type q x y z -#dump 1 all image 5 image.*.jpg type type & +#dump 2 all image 5 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 3 +#dump_modify 2 pad 3 + +#dump 3 all movie 5 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 3 fix 3 all reax/c/species 1 5 5 species.tatb diff --git a/examples/rigid/in.rigid b/examples/rigid/in.rigid index c9de83397f..930c025aa3 100644 --- a/examples/rigid/in.rigid +++ b/examples/rigid/in.rigid @@ -68,9 +68,13 @@ thermo 100 #dump 1 all atom 50 dump.rigid -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 5 timestep 0.0001 thermo 50 diff --git a/examples/rigid/in.rigid.poems b/examples/rigid/in.rigid.poems index 680b8e19dc..aeb5e9e045 100644 --- a/examples/rigid/in.rigid.poems +++ b/examples/rigid/in.rigid.poems @@ -68,9 +68,13 @@ thermo 100 #dump 1 all atom 50 dump.rigid.poems -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 5 timestep 0.0001 thermo 50 diff --git a/examples/rigid/in.rigid.poems2 b/examples/rigid/in.rigid.poems2 index f9a1496adb..3b7ab86d63 100644 --- a/examples/rigid/in.rigid.poems2 +++ b/examples/rigid/in.rigid.poems2 @@ -68,9 +68,13 @@ thermo 100 #dump 1 all atom 50 dump.rigid.poems2 -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 -#dump_modify 1 pad 5 +#dump_modify 2 pad 5 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 60 -30 +#dump_modify 3 pad 5 timestep 0.0001 thermo 50 diff --git a/examples/shear/in.shear b/examples/shear/in.shear index d7d4f9a996..153f62869b 100644 --- a/examples/shear/in.shear +++ b/examples/shear/in.shear @@ -64,9 +64,13 @@ fix_modify 3 temp new2d #dump 1 all atom 100 dump.shear -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 -#dump_modify 1 pad 4 +#dump_modify 2 pad 4 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 +#dump_modify 3 pad 4 thermo 100 thermo_modify temp new2d diff --git a/examples/shear/in.shear.void b/examples/shear/in.shear.void index 73a25d230e..74da62cc1b 100644 --- a/examples/shear/in.shear.void +++ b/examples/shear/in.shear.void @@ -64,9 +64,13 @@ fix_modify 3 temp new2d #dump 1 all atom 100 dump.shear.void -#dump 1 all image 100 image.*.jpg type type & +#dump 2 all image 100 image.*.jpg type type & # axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 -#dump_modify 1 pad 4 +#dump_modify 2 pad 4 + +#dump 3 all movie 100 movie.mpg type type & +# axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0 +#dump_modify 3 pad 4 thermo 100 thermo_modify temp new2d diff --git a/examples/srd/in.srd.mixture b/examples/srd/in.srd.mixture index 7fee16db92..898e3c9b26 100644 --- a/examples/srd/in.srd.mixture +++ b/examples/srd/in.srd.mixture @@ -98,7 +98,10 @@ thermo 100 #dump 1 all atom 250 dump.srd.mixture -#dump 1 all image 250 image.*.jpg type type zoom 1.6 -#dump_modify 1 pad 4 adiam 1 1 adiam 2 0.2 +#dump 2 all image 250 image.*.jpg type type zoom 1.6 +#dump_modify 2 pad 4 adiam 1 1 adiam 2 0.2 + +#dump 3 all movie 250 movie.mpg type type zoom 1.6 +#dump_modify 3 pad 4 adiam 1 1 adiam 2 0.2 run 5000 diff --git a/examples/srd/in.srd.pure b/examples/srd/in.srd.pure index b89cb54380..23e44a4c04 100644 --- a/examples/srd/in.srd.pure +++ b/examples/srd/in.srd.pure @@ -44,7 +44,10 @@ thermo 100 #dump 1 all atom 250 dump.srd.pure -#dump 1 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2 -#dump_modify 1 pad 4 +#dump 2 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2 +#dump_modify 2 pad 4 + +#dump 3 all movie 250 movie.mpg type type zoom 1.6 adiam 0.2 +#dump_modify 3 pad 4 run 5000