Loading doc/src/compute_pressure_uef.txt +1 −1 Original line number Diff line number Diff line Loading @@ -13,7 +13,7 @@ compute pressure/uef command :h3 compute ID group-ID pressure/uef temp-ID keyword ... :pre ID, group-ID are documented in "compute"_compute.html command pressure = style name of this compute command pressure/uef = style name of this compute command temp-ID = ID of compute that calculates temperature, can be NULL if not needed zero or more keywords may be appended keyword = {ke} or {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} or {fix} or {virial} :ul Loading doc/src/compute_temp_uef.txt +1 −1 Original line number Diff line number Diff line Loading @@ -13,7 +13,7 @@ compute temp/uef command :h3 compute ID group-ID temp/uef :pre ID, group-ID are documented in "compute"_compute.html command temp = style name of this compute command :ul temp/uef = style name of this compute command :ul [Examples:] Loading doc/src/fix_nh_uef.txt +3 −3 Original line number Diff line number Diff line Loading @@ -11,7 +11,7 @@ fix npt/uef command :h3 [Syntax:] fix ID group-ID style_name erate eps_x eps_y temp Tstart Tstop Tdamp keyword value ... :pre fix ID group-ID style_name erate edot_x edot_y temp Tstart Tstop Tdamp keyword value ... :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l style_name = {nvt/uef} or {npt/uef} :l Loading @@ -31,7 +31,7 @@ keyword = {ext} or {strain} or {iso} or {x} or {y} or {z} or {tchain} or {pchain fix uniax_nvt all nvt/uef temp 400 400 100 erate 0.00001 -0.000005 fix biax_nvt all nvt/uef temp 400 400 100 erate 0.000005 0.000005 fix uniax_npt all npt/uef temp 400 400 300 iso 1 1 3000 erate 0.00001 -0.000005 ext yz fix biax_npt all npt/uef temp 400 400 100 erate 0.00001 -0.000005 :pre fix biax_npt all npt/uef temp 400 400 100 erate -0.00001 0.000005 x 1 1 3000 :pre [Description:] Loading Loading @@ -92,7 +92,7 @@ in "fix npt"_fix_nh.html. There are two ways to control the pressure using this fix. The first method involves using the {ext} keyword along with the {iso} pressure style. With this method, the pressure is controlled by scaling the simulation box isotropically to achieve the average pressure only in the directions specified by {ext}. For example, if the {ext} values is set to {xy}, the average pressure (Pxx+Pyy)/2 For example, if the {ext} value is set to {xy}, the average pressure (Pxx+Pyy)/2 will be controlled. This example command will control the total hydrostatic pressure under uniaxial tension: Loading Loading
doc/src/compute_pressure_uef.txt +1 −1 Original line number Diff line number Diff line Loading @@ -13,7 +13,7 @@ compute pressure/uef command :h3 compute ID group-ID pressure/uef temp-ID keyword ... :pre ID, group-ID are documented in "compute"_compute.html command pressure = style name of this compute command pressure/uef = style name of this compute command temp-ID = ID of compute that calculates temperature, can be NULL if not needed zero or more keywords may be appended keyword = {ke} or {pair} or {bond} or {angle} or {dihedral} or {improper} or {kspace} or {fix} or {virial} :ul Loading
doc/src/compute_temp_uef.txt +1 −1 Original line number Diff line number Diff line Loading @@ -13,7 +13,7 @@ compute temp/uef command :h3 compute ID group-ID temp/uef :pre ID, group-ID are documented in "compute"_compute.html command temp = style name of this compute command :ul temp/uef = style name of this compute command :ul [Examples:] Loading
doc/src/fix_nh_uef.txt +3 −3 Original line number Diff line number Diff line Loading @@ -11,7 +11,7 @@ fix npt/uef command :h3 [Syntax:] fix ID group-ID style_name erate eps_x eps_y temp Tstart Tstop Tdamp keyword value ... :pre fix ID group-ID style_name erate edot_x edot_y temp Tstart Tstop Tdamp keyword value ... :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l style_name = {nvt/uef} or {npt/uef} :l Loading @@ -31,7 +31,7 @@ keyword = {ext} or {strain} or {iso} or {x} or {y} or {z} or {tchain} or {pchain fix uniax_nvt all nvt/uef temp 400 400 100 erate 0.00001 -0.000005 fix biax_nvt all nvt/uef temp 400 400 100 erate 0.000005 0.000005 fix uniax_npt all npt/uef temp 400 400 300 iso 1 1 3000 erate 0.00001 -0.000005 ext yz fix biax_npt all npt/uef temp 400 400 100 erate 0.00001 -0.000005 :pre fix biax_npt all npt/uef temp 400 400 100 erate -0.00001 0.000005 x 1 1 3000 :pre [Description:] Loading Loading @@ -92,7 +92,7 @@ in "fix npt"_fix_nh.html. There are two ways to control the pressure using this fix. The first method involves using the {ext} keyword along with the {iso} pressure style. With this method, the pressure is controlled by scaling the simulation box isotropically to achieve the average pressure only in the directions specified by {ext}. For example, if the {ext} values is set to {xy}, the average pressure (Pxx+Pyy)/2 For example, if the {ext} value is set to {xy}, the average pressure (Pxx+Pyy)/2 will be controlled. This example command will control the total hydrostatic pressure under uniaxial tension: Loading
