git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15204 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-06-17 23:50:52 +00:00
parent d55f968432
commit 143b72e7da
6 changed files with 12 additions and 11 deletions

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@ -103,7 +103,7 @@ converge properly.
:line
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
"Section_accelerate"_Section_accelerate.html of the manual. The
@ -138,9 +138,10 @@ forces added by this fix in a consistent manner. I.e. there is a
decrease in potential energy when atoms move in the direction of the
added force.
The "fix_modify"_fix_modify.html {respa} option is supported by
this fix. This allows to set at which level of the "r-RESPA"_run_style.html
integrator the fix is adding its forces. Default is the outermost level.
The "fix_modify"_fix_modify.html {respa} option is supported by this
fix. This allows to set at which level of the "r-RESPA"_run_style.html
integrator the fix is adding its forces. Default is the outermost
level.
This fix computes a global scalar and a global 3-vector of forces,
which can be accessed by various "output

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@ -63,7 +63,7 @@ to it.
:line
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
"Section_accelerate"_Section_accelerate.html of the manual. The

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@ -27,7 +27,7 @@ not move from their initial z coordinate.
:line
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
"Section_accelerate"_Section_accelerate.html of the manual. The

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@ -31,7 +31,7 @@ using "fix setforce"_fix_setforce.html.
:line
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
"Section_accelerate"_Section_accelerate.html of the manual. The

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@ -18,7 +18,7 @@ keyword = {temp} or {press} or {energy} or {respa} :l
{temp} value = compute ID that calculates a temperature
{press} value = compute ID that calculates a pressure
{energy} value = {yes} or {no}
{respa} value = {1} to {max respa level} or {0} (= outmost level) :pre
{respa} value = {1} to {max respa level} or {0} (for outermost level) :pre
:ule
[Examples:]
@ -68,8 +68,8 @@ This is a number ranging from 1 to the number of levels. If the RESPA
level is larger than the current maximum, the outermost level will be
used, which is also the default setting. This default can be restored
using a value of {0} for the RESPA level. The affected fix has to be
programmed to support this feature; if not, {fix_modify} will report
an error. Active fixes with a custom RESPA level setting are reported
enabled to support this feature; if not, {fix_modify} will report an
error. Active fixes with a custom RESPA level setting are reported
with their specified level at the beginning of a r-RESPA run.
[Restrictions:] none

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@ -145,7 +145,7 @@ info of atoms in the molecule.
:line
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
"Section_accelerate"_Section_accelerate.html of the manual. The