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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1910 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-06-23 16:13:59 +00:00
parent fa49ce24b8
commit 7c18d509f5
2 changed files with 8 additions and 8 deletions
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8
doc/minimize.html
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@ -61,8 +61,8 @@ system as a function of the N atom coordinates:
<CENTER><IMG SRC = "Eqs/min_energy.jpg"> <CENTER><IMG SRC = "Eqs/min_energy.jpg">
</CENTER> </CENTER>
<P>where the first term is the sum of all non-bonded pairwise <P>where the first term is the sum of all non-bonded pairwise
interactions including long-range interactions (Coulombic), the 2nd interactions including long-range Coulombic interactions, the 2nd thru
thru fifth terms are bond, angle, dihedral, and improper interactions 5th terms are bond, angle, dihedral, and improper interactions
respectively, and the last term is constraints due to fixes, such as respectively, and the last term is constraints due to fixes, such as
energy/force interactions with a wall. See the discussion below about energy/force interactions with a wall. See the discussion below about
which fix commands affect minimization. which fix commands affect minimization.
@ -70,8 +70,8 @@ which fix commands affect minimization.
<P>The starting point for the minimization is the current configuration <P>The starting point for the minimization is the current configuration
of the atoms. Note that the minimizer only attempts to find a local of the atoms. Note that the minimizer only attempts to find a local
energy minimum, not a global minimum. In a mathematical sense, there energy minimum, not a global minimum. In a mathematical sense, there
is no guarantee of even finding a local minimum in some cases with is no guarantee in some cases of even finding a local minimum if the
these algorithms. objective function is ill-behaved.
</P> </P>
<HR> <HR>

8
doc/minimize.txt
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@ -58,8 +58,8 @@ system as a function of the N atom coordinates:
:c,image(Eqs/min_energy.jpg) :c,image(Eqs/min_energy.jpg)
where the first term is the sum of all non-bonded pairwise where the first term is the sum of all non-bonded pairwise
interactions including long-range interactions (Coulombic), the 2nd interactions including long-range Coulombic interactions, the 2nd thru
thru fifth terms are bond, angle, dihedral, and improper interactions 5th terms are bond, angle, dihedral, and improper interactions
respectively, and the last term is constraints due to fixes, such as respectively, and the last term is constraints due to fixes, such as
energy/force interactions with a wall. See the discussion below about energy/force interactions with a wall. See the discussion below about
which fix commands affect minimization. which fix commands affect minimization.
@ -67,8 +67,8 @@ which fix commands affect minimization.
The starting point for the minimization is the current configuration The starting point for the minimization is the current configuration
of the atoms. Note that the minimizer only attempts to find a local of the atoms. Note that the minimizer only attempts to find a local
energy minimum, not a global minimum. In a mathematical sense, there energy minimum, not a global minimum. In a mathematical sense, there
is no guarantee of even finding a local minimum in some cases with is no guarantee in some cases of even finding a local minimum if the
these algorithms. objective function is ill-behaved.
:line :line