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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7925 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-03-07 15:55:21 +00:00
parent 6c836ed0e4
commit 556f92cbe5
2 changed files with 8 additions and 10 deletions
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14
doc/dihedral_table.html
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@ -70,27 +70,25 @@ or blank lines.
</P> </P>
<PRE># Table of the potential and its negative derivative <PRE># Table of the potential and its negative derivative
</PRE> </PRE>
DIH_TABLE1 (keyword is the first text on line) <PRE>DIH_TABLE1 (keyword is the first text on line)
N 30 DEGREES (N, NOF, DEGREES, RADIANS, CHECKU/F) N 30 DEGREES (N, NOF, DEGREES, RADIANS, CHECKU/F)
(blank line) (blank line)
1 -168.0 -1.40351172223 -0.0423346818422 1 -168.0 -1.40351172223 -0.0423346818422
2 -156.0 -1.70447981034 -0.00811786522531 2 -156.0 -1.70447981034 -0.00811786522531
3 -144.0 -1.62956100432 0.0184129719987 3 -144.0 -1.62956100432 0.0184129719987
: : : ...
30 180.0 -0.707106781187 -0.0719306095245
<PRE>30 180.0 -0.707106781187 -0.0719306095245
</PRE> </PRE>
<P># Example 2: table of the potential. Forces omitted <P># Example 2: table of the potential. Forces omitted
</P> </P>
<P>DIH_TABLE2 <P>DIH_TABLE2
N 30 NOF CHECKU testU.dat CHECKF testF.dat N 30 NOF CHECKU testU.dat CHECKF testF.dat
</P> </P>
1 -168.0 -1.40351172223 <PRE>1 -168.0 -1.40351172223
2 -156.0 -1.70447981034 2 -156.0 -1.70447981034
3 -144.0 -1.62956100432 3 -144.0 -1.62956100432
: : ...
30 180.0 -0.707106781187
<PRE>30 180.0 -0.707106781187
</PRE> </PRE>
<P>A section begins with a non−blank line whose 1st character is not a <P>A section begins with a non−blank line whose 1st character is not a
"#"; blank lines or lines starting with "#" can be used as comments "#"; blank lines or lines starting with "#" can be used as comments

4
doc/dihedral_table.txt
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@ -72,7 +72,7 @@ N 30 DEGREES (N, NOF, DEGREES, RADIANS, CHECKU/F)
1 -168.0 -1.40351172223 -0.0423346818422 1 -168.0 -1.40351172223 -0.0423346818422
2 -156.0 -1.70447981034 -0.00811786522531 2 -156.0 -1.70447981034 -0.00811786522531
3 -144.0 -1.62956100432 0.0184129719987 3 -144.0 -1.62956100432 0.0184129719987
: : : : ...
30 180.0 -0.707106781187 -0.0719306095245 :pre 30 180.0 -0.707106781187 -0.0719306095245 :pre
# Example 2: table of the potential. Forces omitted # Example 2: table of the potential. Forces omitted
@ -83,7 +83,7 @@ N 30 NOF CHECKU testU.dat CHECKF testF.dat
1 -168.0 -1.40351172223 1 -168.0 -1.40351172223
2 -156.0 -1.70447981034 2 -156.0 -1.70447981034
3 -144.0 -1.62956100432 3 -144.0 -1.62956100432
: : : ...
30 180.0 -0.707106781187 :pre 30 180.0 -0.707106781187 :pre
A section begins with a non−blank line whose 1st character is not a A section begins with a non−blank line whose 1st character is not a