diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt index ae115dd904277a010c025acf6b48390d5aef6111..5715c0123b278b5b34d6374abbc651caa99b3c54 100644 --- a/doc/src/Commands_pair.txt +++ b/doc/src/Commands_pair.txt @@ -81,6 +81,7 @@ OPT. "eam (gikot)"_pair_eam.html, "eam/alloy (gikot)"_pair_eam.html, "eam/cd (o)"_pair_eam.html, +"eam/cd/old (o)"_pair_eam.html, "eam/fs (gikot)"_pair_eam.html, "edip (o)"_pair_edip.html, "edip/multi"_pair_edip.html, diff --git a/doc/src/pair_eam.txt b/doc/src/pair_eam.txt index 6c3793cb61bc2ad74102e02f1f9b73c9dcf2be74..ed1378b6fd887e29307a29f4ec5690274825b747 100644 --- a/doc/src/pair_eam.txt +++ b/doc/src/pair_eam.txt @@ -20,6 +20,8 @@ pair_style eam/alloy/omp command :h3 pair_style eam/alloy/opt command :h3 pair_style eam/cd command :h3 pair_style eam/cd/omp command :h3 +pair_style eam/cd/old command :h3 +pair_style eam/cd/old/omp command :h3 pair_style eam/fs command :h3 pair_style eam/fs/gpu command :h3 pair_style eam/fs/intel command :h3 @@ -31,7 +33,7 @@ pair_style eam/fs/opt command :h3 pair_style style :pre -style = {eam} or {eam/alloy} or {eam/cd} or {eam/fs} :ul +style = {eam} or {eam/alloy} or {eam/cd} or {eam/cd/old} or {eam/fs} :ul [Examples:] @@ -268,7 +270,8 @@ Style {eam/cd} is similar to the {eam/alloy} style, except that it computes alloy pairwise interactions using the concentration-dependent embedded-atom method (CD-EAM). This model can reproduce the enthalpy of mixing of alloys over the full composition range, as described in -"(Stukowski)"_#Stukowski. +"(Stukowski)"_#Stukowski. Style {eam/cd/old} is an older, slightly +different and slower two-site formulation of the model "(Caro)"_#Caro. The pair_coeff command is specified the same as for the {eam/alloy} style. However the DYNAMO {setfl} file must has two @@ -442,3 +445,6 @@ Daw, Baskes, Phys Rev B, 29, 6443 (1984). :link(Stukowski) [(Stukowski)] Stukowski, Sadigh, Erhart, Caro; Modeling Simulation Materials Science & Engineering, 7, 075005 (2009). + +:link(Caro) +[(Caro)] A Caro, DA Crowson, M Caro; Phys Rev Lett, 95, 075702 (2005)