From acbd3c00816c17ae500c17c31d56d1195f7924f2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 12 May 2009 13:33:47 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2814 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_nph.html | 2 +- doc/fix_nph.txt | 2 +- doc/fix_npt.html | 2 +- doc/fix_npt.txt | 2 +- doc/fix_npt_asphere.html | 6 ++++-- doc/fix_npt_asphere.txt | 6 ++++-- doc/fix_npt_sphere.html | 8 +++++--- doc/fix_npt_sphere.txt | 8 +++++--- doc/fix_nvt.html | 2 +- doc/fix_nvt.txt | 2 +- doc/fix_nvt_asphere.html | 6 ++++-- doc/fix_nvt_asphere.txt | 6 ++++-- doc/fix_nvt_sllod.html | 6 ++++-- doc/fix_nvt_sllod.txt | 6 ++++-- doc/fix_nvt_sphere.html | 6 ++++-- doc/fix_nvt_sphere.txt | 6 ++++-- doc/fix_temp_rescale.html | 10 ++-------- doc/fix_temp_rescale.txt | 10 ++-------- 18 files changed, 52 insertions(+), 44 deletions(-) diff --git a/doc/fix_nph.html b/doc/fix_nph.html index 13fde0bbaf..f4f05de6b3 100644 --- a/doc/fix_nph.html +++ b/doc/fix_nph.html @@ -187,7 +187,7 @@ fix to add the energy change induced by Nose/Hoover barostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_nph.txt b/doc/fix_nph.txt index 92a0589672..a9d9f15c4a 100644 --- a/doc/fix_nph.txt +++ b/doc/fix_nph.txt @@ -177,7 +177,7 @@ fix to add the energy change induced by Nose/Hoover barostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_npt.html b/doc/fix_npt.html index 0e23efcd65..211b6a0ff3 100644 --- a/doc/fix_npt.html +++ b/doc/fix_npt.html @@ -224,7 +224,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_npt.txt b/doc/fix_npt.txt index 7b17cc66cc..749c7d123c 100644 --- a/doc/fix_npt.txt +++ b/doc/fix_npt.txt @@ -213,7 +213,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_npt_asphere.html b/doc/fix_npt_asphere.html index bf1abbacd1..8a346ff496 100644 --- a/doc/fix_npt_asphere.html +++ b/doc/fix_npt_asphere.html @@ -198,9 +198,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output -commands. +commands. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation.

This fix can ramp its target temperature and pressure over multiple runs, using the start and stop keywords of the run diff --git a/doc/fix_npt_asphere.txt b/doc/fix_npt_asphere.txt index 7814388fb9..48bf637f1c 100755 --- a/doc/fix_npt_asphere.txt +++ b/doc/fix_npt_asphere.txt @@ -187,9 +187,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output -commands"_Section_howto.html#4_15. +commands"_Section_howto.html#4_15. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation. This fix can ramp its target temperature and pressure over multiple runs, using the {start} and {stop} keywords of the "run"_run.html diff --git a/doc/fix_npt_sphere.html b/doc/fix_npt_sphere.html index fda875dd95..5cff92a353 100644 --- a/doc/fix_npt_sphere.html +++ b/doc/fix_npt_sphere.html @@ -200,9 +200,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar -quantity, which can be accessed by various output -commands. +

The potential cummulative energy change due to this fix is stored as a +scalar quantity, which can be accessed by various output +commands. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation.

This fix can ramp its target temperature and pressure over multiple runs, using the start and stop keywords of the run diff --git a/doc/fix_npt_sphere.txt b/doc/fix_npt_sphere.txt index 1837e8a576..7d5850abad 100755 --- a/doc/fix_npt_sphere.txt +++ b/doc/fix_npt_sphere.txt @@ -189,9 +189,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting and barostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar -quantity, which can be accessed by various "output -commands"_Section_howto.html#4_15. +The potential cummulative energy change due to this fix is stored as a +scalar quantity, which can be accessed by various "output +commands"_Section_howto.html#4_15. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation. This fix can ramp its target temperature and pressure over multiple runs, using the {start} and {stop} keywords of the "run"_run.html diff --git a/doc/fix_nvt.html b/doc/fix_nvt.html index 29730e764c..886eca926d 100644 --- a/doc/fix_nvt.html +++ b/doc/fix_nvt.html @@ -133,7 +133,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_nvt.txt b/doc/fix_nvt.txt index 75692605dc..01c2284078 100644 --- a/doc/fix_nvt.txt +++ b/doc/fix_nvt.txt @@ -124,7 +124,7 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in diff --git a/doc/fix_nvt_asphere.html b/doc/fix_nvt_asphere.html index 32f44e4b98..1b453dd236 100644 --- a/doc/fix_nvt_asphere.html +++ b/doc/fix_nvt_asphere.html @@ -122,9 +122,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output -commands. +commands. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation.

This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_asphere.txt b/doc/fix_nvt_asphere.txt index a918929453..857d6f7f6c 100755 --- a/doc/fix_nvt_asphere.txt +++ b/doc/fix_nvt_asphere.txt @@ -113,9 +113,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output -commands"_Section_howto.html#4_15. +commands"_Section_howto.html#4_15. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation. This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_nvt_sllod.html b/doc/fix_nvt_sllod.html index 7e366ac8f9..484ad4e64b 100644 --- a/doc/fix_nvt_sllod.html +++ b/doc/fix_nvt_sllod.html @@ -141,9 +141,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output -commands. +commands. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation.

This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_sllod.txt b/doc/fix_nvt_sllod.txt index 742fe25b99..9744a0d785 100644 --- a/doc/fix_nvt_sllod.txt +++ b/doc/fix_nvt_sllod.txt @@ -132,9 +132,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output -commands"_Section_howto.html#4_15. +commands"_Section_howto.html#4_15. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation. This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_nvt_sphere.html b/doc/fix_nvt_sphere.html index 7c0dc36d24..70f91bfb8c 100644 --- a/doc/fix_nvt_sphere.html +++ b/doc/fix_nvt_sphere.html @@ -125,9 +125,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of thermodynamic output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output -commands. +commands. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation.

This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the diff --git a/doc/fix_nvt_sphere.txt b/doc/fix_nvt_sphere.txt index 7384f30594..fcfedd1436 100755 --- a/doc/fix_nvt_sphere.txt +++ b/doc/fix_nvt_sphere.txt @@ -116,9 +116,11 @@ fix to add the energy change induced by Nose/Hoover thermostatting to the system's potential energy as part of "thermodynamic output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output -commands"_Section_howto.html#4_15. +commands"_Section_howto.html#4_15. The scalar value calculated by +this fix is "extensive", meaning it scales with the number of atoms in +the simulation. This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the diff --git a/doc/fix_temp_rescale.html b/doc/fix_temp_rescale.html index 1b2a61c987..cc2a111dbe 100644 --- a/doc/fix_temp_rescale.html +++ b/doc/fix_temp_rescale.html @@ -114,20 +114,14 @@ this fix and by the compute should be the same.

The fix_modify energy option is supported by this fix to add the energy change implied by a velocity rescaling to the system's potential energy as part of thermodynamic -output. Note that because this fix is invoked -every N steps and thermodynamic info is printed every M steps, that -unless M is a multiple of N, the energy contribution will be zero. +output.

-

The potential energy change due to this fix is stored as a scalar +

The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various output commands. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in the simulation.

-

The energy change can be printed as part of thermodynamic output via -the keyword f_ID, where ID is the fix-ID of this fix. See the -thermo_style custom command for details. -

This fix can ramp its target temperature over multiple runs, using the start and stop keywords of the run command. See the run command for details of how to do this. diff --git a/doc/fix_temp_rescale.txt b/doc/fix_temp_rescale.txt index d345c2e7af..2bae2170c3 100644 --- a/doc/fix_temp_rescale.txt +++ b/doc/fix_temp_rescale.txt @@ -111,20 +111,14 @@ this fix and by the compute should be the same. The "fix_modify"_fix_modify.html {energy} option is supported by this fix to add the energy change implied by a velocity rescaling to the system's potential energy as part of "thermodynamic -output"_thermo_style.html. Note that because this fix is invoked -every N steps and thermodynamic info is printed every M steps, that -unless M is a multiple of N, the energy contribution will be zero. +output"_thermo_style.html. -The potential energy change due to this fix is stored as a scalar +The cummulative energy change due to this fix is stored as a scalar quantity, which can be accessed by various "output commands"_Section_howto.html#4_15. The scalar value calculated by this fix is "extensive", meaning it scales with the number of atoms in the simulation. -The energy change can be printed as part of thermodynamic output via -the keyword f_ID, where ID is the fix-ID of this fix. See the -"thermo_style custom"_thermo_style.html command for details. - This fix can ramp its target temperature over multiple runs, using the {start} and {stop} keywords of the "run"_run.html command. See the "run"_run.html command for details of how to do this.