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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4271 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2010-06-16 15:36:21 +00:00
parent 82f5b421dc
commit 09292fca44
2 changed files with 8 additions and 2 deletions
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5
doc/bond_table.html
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@ -109,7 +109,10 @@ length is set to 0.0.
On each line, the 1st value is the index from 1 to N, the 2nd value is On each line, the 1st value is the index from 1 to N, the 2nd value is
the bond length r (in distance units), the 3rd value is the energy (in the bond length r (in distance units), the 3rd value is the energy (in
energy units), and the 4th is the force (in force units). The bond energy units), and the 4th is the force (in force units). The bond
lengths must increase from one line to the next. lengths must range from a LO value to a HI value, and increase from
one line to the next. If the actual bond length is ever smaller than
the LO value or larger than the HI value, then the bond energy and
force is evaluated as if the bond were the LO or HI length.
</P> </P>
<P>Note that one file can contain many sections, each with a tabulated <P>Note that one file can contain many sections, each with a tabulated
potential. LAMMPS reads the file section by section until it finds potential. LAMMPS reads the file section by section until it finds

5
doc/bond_table.txt
View File

@ -106,7 +106,10 @@ Following a blank line, the next N lines list the tabulated values.
On each line, the 1st value is the index from 1 to N, the 2nd value is On each line, the 1st value is the index from 1 to N, the 2nd value is
the bond length r (in distance units), the 3rd value is the energy (in the bond length r (in distance units), the 3rd value is the energy (in
energy units), and the 4th is the force (in force units). The bond energy units), and the 4th is the force (in force units). The bond
lengths must increase from one line to the next. lengths must range from a LO value to a HI value, and increase from
one line to the next. If the actual bond length is ever smaller than
the LO value or larger than the HI value, then the bond energy and
force is evaluated as if the bond were the LO or HI length.
Note that one file can contain many sections, each with a tabulated Note that one file can contain many sections, each with a tabulated
potential. LAMMPS reads the file section by section until it finds potential. LAMMPS reads the file section by section until it finds