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Commit 497af2eb authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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document eam/cd/old

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