Loading doc/src/fix_nve_dotc_langevin.txt +9 −3 Original line number Diff line number Diff line Loading @@ -24,7 +24,8 @@ keyword = {angmom} :l [Examples:] fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10 :pre fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10 fix 1 all nve/dotc/langevin 0.1 0.1 78.9375 457145 angmom 10 :pre [Description:] Loading Loading @@ -78,7 +79,9 @@ a Gaussian random number) for speed. :line {Tstart} and {Tstop} have to be constant values, i.e. they cannot be variables. be variables. If used together with the oxDNA force field for coarse-grained simulation of DNA please note that T = 0.1 in oxDNA units corresponds to T = 300 K. The {damp} parameter is specified in time units and determines how rapidly the temperature is relaxed. For example, a value of 0.03 Loading @@ -89,6 +92,9 @@ viscosity of the solvent, i.e. a small relaxation time implies a hi-viscosity solvent and vice versa. See the discussion about gamma and viscosity in the documentation for the "fix viscous"_fix_viscous.html command for more details. Note that the value 78.9375 in the second example above corresponds to a diffusion constant, which is about an order of magnitude larger than realistic ones. This has been used to sample configurations faster. The random # {seed} must be a positive integer. A Marsaglia random number generator is used. Each processor uses the input seed to Loading Loading @@ -120,7 +126,7 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] "fix nve"_fix_nve.html, "fix langevin"_fix_langevin.html, "fix nve/dot"_fix_nve_dot.html, "fix nve"_fix_nve.html, "fix langevin"_fix_langevin.html, "fix nve/dot"_fix_nve_dot.html, "bond_style oxdna/fene"_bond_oxdna.html, "bond_style oxdna2/fene"_bond_oxdna.html, "pair_style oxdna/excv"_pair_oxdna.html, "pair_style oxdna2/excv"_pair_oxdna2.html [Default:] none Loading Loading
doc/src/fix_nve_dotc_langevin.txt +9 −3 Original line number Diff line number Diff line Loading @@ -24,7 +24,8 @@ keyword = {angmom} :l [Examples:] fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10 :pre fix 1 all nve/dotc/langevin 1.0 1.0 0.03 457145 angmom 10 fix 1 all nve/dotc/langevin 0.1 0.1 78.9375 457145 angmom 10 :pre [Description:] Loading Loading @@ -78,7 +79,9 @@ a Gaussian random number) for speed. :line {Tstart} and {Tstop} have to be constant values, i.e. they cannot be variables. be variables. If used together with the oxDNA force field for coarse-grained simulation of DNA please note that T = 0.1 in oxDNA units corresponds to T = 300 K. The {damp} parameter is specified in time units and determines how rapidly the temperature is relaxed. For example, a value of 0.03 Loading @@ -89,6 +92,9 @@ viscosity of the solvent, i.e. a small relaxation time implies a hi-viscosity solvent and vice versa. See the discussion about gamma and viscosity in the documentation for the "fix viscous"_fix_viscous.html command for more details. Note that the value 78.9375 in the second example above corresponds to a diffusion constant, which is about an order of magnitude larger than realistic ones. This has been used to sample configurations faster. The random # {seed} must be a positive integer. A Marsaglia random number generator is used. Each processor uses the input seed to Loading Loading @@ -120,7 +126,7 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] "fix nve"_fix_nve.html, "fix langevin"_fix_langevin.html, "fix nve/dot"_fix_nve_dot.html, "fix nve"_fix_nve.html, "fix langevin"_fix_langevin.html, "fix nve/dot"_fix_nve_dot.html, "bond_style oxdna/fene"_bond_oxdna.html, "bond_style oxdna2/fene"_bond_oxdna.html, "pair_style oxdna/excv"_pair_oxdna.html, "pair_style oxdna2/excv"_pair_oxdna2.html [Default:] none Loading
