Loading doc/src/fix_neb.txt +2 −2 Original line number Diff line number Diff line Loading @@ -93,7 +93,7 @@ intermediate replica with the previous and the next image: Fnudge_parallel = {Kspring} * (|Ri+1 - Ri| - |Ri - Ri-1|) :pre Note that in this case the specified {Kspring) is in force/distance Note that in this case the specified {Kspring} is in force/distance units. With a value of {ideal}, the spring force is computed as suggested in Loading @@ -105,7 +105,7 @@ where RD is the "reaction coordinate" see "neb"_neb.html section, and RDideal is the ideal RD for which all the images are equally spaced. I.e. RDideal = (I-1)*meanDist when the climbing replica is off, where I is the replica number). The meanDist is the average distance between replicas. Note that in this case the specified {Kspring) is between replicas. Note that in this case the specified {Kspring} is in force units. Note that the {ideal} form of nudging can often be more effective at Loading Loading
doc/src/fix_neb.txt +2 −2 Original line number Diff line number Diff line Loading @@ -93,7 +93,7 @@ intermediate replica with the previous and the next image: Fnudge_parallel = {Kspring} * (|Ri+1 - Ri| - |Ri - Ri-1|) :pre Note that in this case the specified {Kspring) is in force/distance Note that in this case the specified {Kspring} is in force/distance units. With a value of {ideal}, the spring force is computed as suggested in Loading @@ -105,7 +105,7 @@ where RD is the "reaction coordinate" see "neb"_neb.html section, and RDideal is the ideal RD for which all the images are equally spaced. I.e. RDideal = (I-1)*meanDist when the climbing replica is off, where I is the replica number). The meanDist is the average distance between replicas. Note that in this case the specified {Kspring) is between replicas. Note that in this case the specified {Kspring} is in force units. Note that the {ideal} form of nudging can often be more effective at Loading
