Loading doc/src/neb.txt +2 −2 Original line number Diff line number Diff line Loading @@ -61,7 +61,7 @@ would see with one or more physical processors per replica. See discussion. NOTE: As explained below, a NEB calculation perfoms a damped dynamics minimization across all the replicas. The mimimizer uses whatever minimization across all the replicas. The minimizer uses whatever timestep you have defined in your input script, via the "timestep"_timestep.html command. Often NEB will converge more quickly if you use a timestep about 10x larger than you would normally Loading Loading @@ -151,7 +151,7 @@ world-, universe-, or uloop-style variables. Each replica (except the first replica) will read its file, formatted as described below, and for any atom that appears in the file, assign the specified coordinates to this atom. The various files do not need the specified coordinates to its atom. The various files do not need to contain the same set of atoms. For a {file-style} setting of {none}, no filename is specified. Each Loading Loading
doc/src/neb.txt +2 −2 Original line number Diff line number Diff line Loading @@ -61,7 +61,7 @@ would see with one or more physical processors per replica. See discussion. NOTE: As explained below, a NEB calculation perfoms a damped dynamics minimization across all the replicas. The mimimizer uses whatever minimization across all the replicas. The minimizer uses whatever timestep you have defined in your input script, via the "timestep"_timestep.html command. Often NEB will converge more quickly if you use a timestep about 10x larger than you would normally Loading Loading @@ -151,7 +151,7 @@ world-, universe-, or uloop-style variables. Each replica (except the first replica) will read its file, formatted as described below, and for any atom that appears in the file, assign the specified coordinates to this atom. The various files do not need the specified coordinates to its atom. The various files do not need to contain the same set of atoms. For a {file-style} setting of {none}, no filename is specified. Each Loading
