Loading doc/Section_commands.txt +1 −0 Original line number Diff line number Diff line Loading @@ -375,6 +375,7 @@ in the command's documentation. "shape"_shape.html, "shell"_shell.html, "special_bonds"_special_bonds.html, "tad"_tad.html, "temper"_temper.html, "thermo"_thermo.html, "thermo_modify"_thermo_modify.html, Loading doc/Section_howto.txt +3 −2 Original line number Diff line number Diff line Loading @@ -341,11 +341,12 @@ These are the relevant commands: "neb"_neb.html for nudged elastic band calculations "prd"_prd.html for parallel replica dynamics "tad"_tad.html for temperature accelerated dynamics :ul "temper"_temper.html for parallel tempering :ul NEB is a method for finding transition states and barrier energies. PRD is a method for performing accelerated dynamics to find and perform infrequent events. Parallel tempering or replica exchange PRD and TAD are methods for performing accelerated dynamics to find and perform infrequent events. Parallel tempering or replica exchange runs different replicas at a series of temperature to facilitate rare-event sampling. Loading doc/Section_intro.txt +1 −0 Original line number Diff line number Diff line Loading @@ -216,6 +216,7 @@ Multi-replica models :h4 "nudged elastic band"_neb.html "parallel replica dynamics"_prd.html "temperature accelerated dynamics"_tad.html "parallel tempering"_temper.html Pre- and post-processing :h4 Loading Loading
doc/Section_commands.txt +1 −0 Original line number Diff line number Diff line Loading @@ -375,6 +375,7 @@ in the command's documentation. "shape"_shape.html, "shell"_shell.html, "special_bonds"_special_bonds.html, "tad"_tad.html, "temper"_temper.html, "thermo"_thermo.html, "thermo_modify"_thermo_modify.html, Loading
doc/Section_howto.txt +3 −2 Original line number Diff line number Diff line Loading @@ -341,11 +341,12 @@ These are the relevant commands: "neb"_neb.html for nudged elastic band calculations "prd"_prd.html for parallel replica dynamics "tad"_tad.html for temperature accelerated dynamics :ul "temper"_temper.html for parallel tempering :ul NEB is a method for finding transition states and barrier energies. PRD is a method for performing accelerated dynamics to find and perform infrequent events. Parallel tempering or replica exchange PRD and TAD are methods for performing accelerated dynamics to find and perform infrequent events. Parallel tempering or replica exchange runs different replicas at a series of temperature to facilitate rare-event sampling. Loading
doc/Section_intro.txt +1 −0 Original line number Diff line number Diff line Loading @@ -216,6 +216,7 @@ Multi-replica models :h4 "nudged elastic band"_neb.html "parallel replica dynamics"_prd.html "temperature accelerated dynamics"_tad.html "parallel tempering"_temper.html Pre- and post-processing :h4 Loading
