Loading doc/src/fix_nh_uef.txt +6 −1 Original line number Diff line number Diff line Loading @@ -42,9 +42,11 @@ Simulations under extensional flow may be carried out for an indefinite amount of time. It is an implementation of the boundary conditions from "(Dobson)"_#Dobson, and also uses numerical lattice reduction as was proposed by "(Hunt)"_#Hunt. The lattice reduction algorithm is from "(Semaev)"_Semaev. The package is intended for simulations of "(Semaev)"_Semaev. The fix is intended for simulations of homogeneous flows, and integrates the SLLOD equations of motion, originally proposed by Hoover and Ladd (see "(Evans and Morriss)"_#Sllod). Additional detail about this implementation can be found in "(Nicholson and Rutledge)"_#Nicholson. The applied flow field is set by the {eps} keyword. The values {edot_x} and {edot_y} correspond to the strain rates in the xx and yy directions. Loading Loading @@ -204,3 +206,6 @@ The reason for this change is given in "fix nvt/sllod"_fix_nvt_sllod.html. :link(Sllod) [(Evans and Morriss)] Evans and Morriss, Phys Rev A, 30, 1528 (1984). :link(Nicholson) [(Nicholson and Rutledge)] Nicholson and Rutledge, J Chem Phys, 145, 244903 (2016). Loading
doc/src/fix_nh_uef.txt +6 −1 Original line number Diff line number Diff line Loading @@ -42,9 +42,11 @@ Simulations under extensional flow may be carried out for an indefinite amount of time. It is an implementation of the boundary conditions from "(Dobson)"_#Dobson, and also uses numerical lattice reduction as was proposed by "(Hunt)"_#Hunt. The lattice reduction algorithm is from "(Semaev)"_Semaev. The package is intended for simulations of "(Semaev)"_Semaev. The fix is intended for simulations of homogeneous flows, and integrates the SLLOD equations of motion, originally proposed by Hoover and Ladd (see "(Evans and Morriss)"_#Sllod). Additional detail about this implementation can be found in "(Nicholson and Rutledge)"_#Nicholson. The applied flow field is set by the {eps} keyword. The values {edot_x} and {edot_y} correspond to the strain rates in the xx and yy directions. Loading Loading @@ -204,3 +206,6 @@ The reason for this change is given in "fix nvt/sllod"_fix_nvt_sllod.html. :link(Sllod) [(Evans and Morriss)] Evans and Morriss, Phys Rev A, 30, 1528 (1984). :link(Nicholson) [(Nicholson and Rutledge)] Nicholson and Rutledge, J Chem Phys, 145, 244903 (2016).
