Loading examples/micelle/in.micelle +1 −1 Original line number Diff line number Diff line Loading @@ -20,7 +20,7 @@ bond_coeff 1 50.0 0.75 velocity all create 0.45 2349852 variable prefactor equal 1.0+elapsed*(20.0-1.0)/1000 variable prefactor equal ramp(1.0,20.0) fix 1 all nve fix 2 all temp/rescale 100 0.45 0.45 0.02 1.0 Loading examples/neb/in.neb.hop1 +1 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 pair_modify shift yes # initial minimization to relax surface Loading examples/neb/in.neb.hop2 +1 −0 Original line number Diff line number Diff line Loading @@ -25,6 +25,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 pair_modify shift yes # initial minimization to relax surface Loading Loading
examples/micelle/in.micelle +1 −1 Original line number Diff line number Diff line Loading @@ -20,7 +20,7 @@ bond_coeff 1 50.0 0.75 velocity all create 0.45 2349852 variable prefactor equal 1.0+elapsed*(20.0-1.0)/1000 variable prefactor equal ramp(1.0,20.0) fix 1 all nve fix 2 all temp/rescale 100 0.45 0.45 0.02 1.0 Loading
examples/neb/in.neb.hop1 +1 −0 Original line number Diff line number Diff line Loading @@ -23,6 +23,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 pair_modify shift yes # initial minimization to relax surface Loading
examples/neb/in.neb.hop2 +1 −0 Original line number Diff line number Diff line Loading @@ -25,6 +25,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 pair_modify shift yes # initial minimization to relax surface Loading
