Loading doc/compute_temp_asphere.html +13 −3 Original line number Diff line number Diff line Loading @@ -13,15 +13,16 @@ </H3> <P><B>Syntax:</B> </P> <PRE>compute ID group-ID temp/asphere <PRE>compute ID group-ID temp/asphere bias-ID </PRE> <UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command <LI>temp/asphere = style name of this compute command <LI>bias-ID = ID of a temperature compute that removes a velocity bias (optional) </UL> <P><B>Examples:</B> </P> <PRE>compute 1 all temp/asphere compute myTemp mobile temp/asphere compute myTemp mobile temp/asphere tempCOM </PRE> <P><B>Description:</B> </P> Loading Loading @@ -67,6 +68,15 @@ inertia tensor are used. constant for the duration of the run; use the <I>dynamic</I> option of the <A HREF = "compute_modify.html">compute_modify</A> command if this is not the case. </P> <P>If a <I>bias-ID</I> is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. </P> <P>This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and <A HREF = "fix_rigid.html">fix rigid</A>. This means the Loading doc/compute_temp_asphere.txt +13 −3 Original line number Diff line number Diff line Loading @@ -10,15 +10,16 @@ compute temp/asphere command :h3 [Syntax:] compute ID group-ID temp/asphere :pre compute ID group-ID temp/asphere bias-ID :pre ID, group-ID are documented in "compute"_compute.html command temp/asphere = style name of this compute command :ul temp/asphere = style name of this compute command bias-ID = ID of a temperature compute that removes a velocity bias (optional) :ul [Examples:] compute 1 all temp/asphere compute myTemp mobile temp/asphere :pre compute myTemp mobile temp/asphere tempCOM :pre [Description:] Loading Loading @@ -64,6 +65,15 @@ The number of atoms contributing to the temperature is assumed to be constant for the duration of the run; use the {dynamic} option of the "compute_modify"_compute_modify.html command if this is not the case. If a {bias-ID} is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as "fix shake"_fix_shake.html and "fix rigid"_fix_rigid.html. This means the Loading doc/compute_temp_sphere.html +13 −3 Original line number Diff line number Diff line Loading @@ -13,15 +13,16 @@ </H3> <P><B>Syntax:</B> </P> <PRE>compute ID group-ID temp/sphere <PRE>compute ID group-ID temp/sphere bias-ID </PRE> <UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command <LI>temp/sphere = style name of this compute command <LI>bias-ID = ID of a temperature compute that removes a velocity bias (optional) </UL> <P><B>Examples:</B> </P> <PRE>compute 1 all temp/sphere compute myTemp mobile temp/sphere compute myTemp mobile temp/sphere tempCOM </PRE> <P><B>Description:</B> </P> Loading Loading @@ -52,6 +53,15 @@ wx*wy for the xy component. constant for the duration of the run; use the <I>dynamic</I> option of the <A HREF = "compute_modify.html">compute_modify</A> command if this is not the case. </P> <P>If a <I>bias-ID</I> is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. </P> <P>This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and <A HREF = "fix_rigid.html">fix rigid</A>. This means the Loading doc/compute_temp_sphere.txt +13 −3 Original line number Diff line number Diff line Loading @@ -10,15 +10,16 @@ compute temp/sphere command :h3 [Syntax:] compute ID group-ID temp/sphere :pre compute ID group-ID temp/sphere bias-ID :pre ID, group-ID are documented in "compute"_compute.html command temp/sphere = style name of this compute command :ul temp/sphere = style name of this compute command bias-ID = ID of a temperature compute that removes a velocity bias (optional) :ul [Examples:] compute 1 all temp/sphere compute myTemp mobile temp/sphere :pre compute myTemp mobile temp/sphere tempCOM :pre [Description:] Loading Loading @@ -49,6 +50,15 @@ The number of atoms contributing to the temperature is assumed to be constant for the duration of the run; use the {dynamic} option of the "compute_modify"_compute_modify.html command if this is not the case. If a {bias-ID} is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as "fix shake"_fix_shake.html and "fix rigid"_fix_rigid.html. This means the Loading Loading
doc/compute_temp_asphere.html +13 −3 Original line number Diff line number Diff line Loading @@ -13,15 +13,16 @@ </H3> <P><B>Syntax:</B> </P> <PRE>compute ID group-ID temp/asphere <PRE>compute ID group-ID temp/asphere bias-ID </PRE> <UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command <LI>temp/asphere = style name of this compute command <LI>bias-ID = ID of a temperature compute that removes a velocity bias (optional) </UL> <P><B>Examples:</B> </P> <PRE>compute 1 all temp/asphere compute myTemp mobile temp/asphere compute myTemp mobile temp/asphere tempCOM </PRE> <P><B>Description:</B> </P> Loading Loading @@ -67,6 +68,15 @@ inertia tensor are used. constant for the duration of the run; use the <I>dynamic</I> option of the <A HREF = "compute_modify.html">compute_modify</A> command if this is not the case. </P> <P>If a <I>bias-ID</I> is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. </P> <P>This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and <A HREF = "fix_rigid.html">fix rigid</A>. This means the Loading
doc/compute_temp_asphere.txt +13 −3 Original line number Diff line number Diff line Loading @@ -10,15 +10,16 @@ compute temp/asphere command :h3 [Syntax:] compute ID group-ID temp/asphere :pre compute ID group-ID temp/asphere bias-ID :pre ID, group-ID are documented in "compute"_compute.html command temp/asphere = style name of this compute command :ul temp/asphere = style name of this compute command bias-ID = ID of a temperature compute that removes a velocity bias (optional) :ul [Examples:] compute 1 all temp/asphere compute myTemp mobile temp/asphere :pre compute myTemp mobile temp/asphere tempCOM :pre [Description:] Loading Loading @@ -64,6 +65,15 @@ The number of atoms contributing to the temperature is assumed to be constant for the duration of the run; use the {dynamic} option of the "compute_modify"_compute_modify.html command if this is not the case. If a {bias-ID} is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as "fix shake"_fix_shake.html and "fix rigid"_fix_rigid.html. This means the Loading
doc/compute_temp_sphere.html +13 −3 Original line number Diff line number Diff line Loading @@ -13,15 +13,16 @@ </H3> <P><B>Syntax:</B> </P> <PRE>compute ID group-ID temp/sphere <PRE>compute ID group-ID temp/sphere bias-ID </PRE> <UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command <LI>temp/sphere = style name of this compute command <LI>bias-ID = ID of a temperature compute that removes a velocity bias (optional) </UL> <P><B>Examples:</B> </P> <PRE>compute 1 all temp/sphere compute myTemp mobile temp/sphere compute myTemp mobile temp/sphere tempCOM </PRE> <P><B>Description:</B> </P> Loading Loading @@ -52,6 +53,15 @@ wx*wy for the xy component. constant for the duration of the run; use the <I>dynamic</I> option of the <A HREF = "compute_modify.html">compute_modify</A> command if this is not the case. </P> <P>If a <I>bias-ID</I> is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. </P> <P>This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as <A HREF = "fix_shake.html">fix shake</A> and <A HREF = "fix_rigid.html">fix rigid</A>. This means the Loading
doc/compute_temp_sphere.txt +13 −3 Original line number Diff line number Diff line Loading @@ -10,15 +10,16 @@ compute temp/sphere command :h3 [Syntax:] compute ID group-ID temp/sphere :pre compute ID group-ID temp/sphere bias-ID :pre ID, group-ID are documented in "compute"_compute.html command temp/sphere = style name of this compute command :ul temp/sphere = style name of this compute command bias-ID = ID of a temperature compute that removes a velocity bias (optional) :ul [Examples:] compute 1 all temp/sphere compute myTemp mobile temp/sphere :pre compute myTemp mobile temp/sphere tempCOM :pre [Description:] Loading Loading @@ -49,6 +50,15 @@ The number of atoms contributing to the temperature is assumed to be constant for the duration of the run; use the {dynamic} option of the "compute_modify"_compute_modify.html command if this is not the case. If a {bias-ID} is specified it must be the ID of a temperature compute that removes a "bias" velocity from each atom. This allows compute temp/sphere to compute its thermal temperature after the translational kinetic energy components have been altered in a prescribed way, e.g. to remove a velocity profile. Thermostats that use this compute will work with this bias term. See the doc pages for individual computes that calculate a temperature and the doc pages for fixes that perform thermostatting for more details. This compute subtracts out translational degrees-of-freedom due to fixes that constrain molecular motion, such as "fix shake"_fix_shake.html and "fix rigid"_fix_rigid.html. This means the Loading
