Loading examples/ASPHERE/line/in.line +4 −2 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ velocity all create 1.44 320984 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule all neigh_modify exclude molecule/intra all pair_style line/lj 2.5 pair_coeff * * 1.0 1.0 1.0 0.25 2.5 Loading @@ -33,8 +33,10 @@ compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms compute_modify thermo_temp extra/dof -350 thermo 1000 thermo_style custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng thermo_style custom step f_2 pe ke c_1 c_2 c_3 v_toteng run 10000 Loading examples/ASPHERE/line/in.line.srd +4 −2 Original line number Diff line number Diff line Loading @@ -36,7 +36,7 @@ velocity small create 1.44 87287 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule big include big neigh_modify exclude molecule/intra big include big comm_modify mode multi group big vel yes neigh_modify include big Loading Loading @@ -68,13 +68,15 @@ compute tbig big temp variable pebig equal pe*atoms/count(big) variable ebig equal etotal*atoms/count(big) compute_modify tbig extra/dof -350 compute 1 big erotate/asphere compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms thermo 1000 thermo_style custom step temp c_tsmall f_2[9] c_1 etotal & thermo_style custom step c_tsmall f_2[9] c_1 etotal & v_pebig v_ebig press thermo_modify temp tbig Loading examples/ASPHERE/tri/in.tri.srd +3 −1 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ velocity small create 1.44 87287 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule big include big neigh_modify exclude molecule/intra big include big comm_modify mode multi group big vel yes neigh_modify include big Loading Loading @@ -66,6 +66,8 @@ compute tbig big temp variable pebig equal pe*atoms/count(big) variable ebig equal etotal*atoms/count(big) compute_modify tbig extra/dof -4500 compute 1 big erotate/asphere compute 2 all ke compute 3 all pe Loading examples/USER/dpd/dpd-shardlow/in.dpd-shardlow +1 −1 Original line number Diff line number Diff line # Input File for DPD fluid under isothermal conditions using the VV-SSA integration scheme log log.dpd-shardlow boundary p p p units metal Loading examples/USER/dpd/dpd-vv/in.dpd-vv +0 −1 Original line number Diff line number Diff line # INPUT FILE FOR DPD_Fluid log log.dpd-vv boundary p p p units metal # ev, ps Loading Loading
examples/ASPHERE/line/in.line +4 −2 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ velocity all create 1.44 320984 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule all neigh_modify exclude molecule/intra all pair_style line/lj 2.5 pair_coeff * * 1.0 1.0 1.0 0.25 2.5 Loading @@ -33,8 +33,10 @@ compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms compute_modify thermo_temp extra/dof -350 thermo 1000 thermo_style custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng thermo_style custom step f_2 pe ke c_1 c_2 c_3 v_toteng run 10000 Loading
examples/ASPHERE/line/in.line.srd +4 −2 Original line number Diff line number Diff line Loading @@ -36,7 +36,7 @@ velocity small create 1.44 87287 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule big include big neigh_modify exclude molecule/intra big include big comm_modify mode multi group big vel yes neigh_modify include big Loading Loading @@ -68,13 +68,15 @@ compute tbig big temp variable pebig equal pe*atoms/count(big) variable ebig equal etotal*atoms/count(big) compute_modify tbig extra/dof -350 compute 1 big erotate/asphere compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms thermo 1000 thermo_style custom step temp c_tsmall f_2[9] c_1 etotal & thermo_style custom step c_tsmall f_2[9] c_1 etotal & v_pebig v_ebig press thermo_modify temp tbig Loading
examples/ASPHERE/tri/in.tri.srd +3 −1 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ velocity small create 1.44 87287 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule big include big neigh_modify exclude molecule/intra big include big comm_modify mode multi group big vel yes neigh_modify include big Loading Loading @@ -66,6 +66,8 @@ compute tbig big temp variable pebig equal pe*atoms/count(big) variable ebig equal etotal*atoms/count(big) compute_modify tbig extra/dof -4500 compute 1 big erotate/asphere compute 2 all ke compute 3 all pe Loading
examples/USER/dpd/dpd-shardlow/in.dpd-shardlow +1 −1 Original line number Diff line number Diff line # Input File for DPD fluid under isothermal conditions using the VV-SSA integration scheme log log.dpd-shardlow boundary p p p units metal Loading
examples/USER/dpd/dpd-vv/in.dpd-vv +0 −1 Original line number Diff line number Diff line # INPUT FILE FOR DPD_Fluid log log.dpd-vv boundary p p p units metal # ev, ps Loading
