ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9614 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2013-03-07 21:22:06 +00:00
parent 4fd5028c19
commit bfa67dbdf8
16 changed files with 165 additions and 83 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
doc/Section_errors.html
View File

@ -6398,16 +6398,16 @@ then a kspace style must also be used.
<DD>The atom style defined does not have this attribute.
<DT><I>Pair style lj/cut/coul/long/tip4p requires atom IDs</I>
<DT><I>Pair style lj/cut/tip4p/long requires atom IDs</I>
<DD>There are no atom IDs defined in the system and the TIP4P potential
requires them to find O,H atoms with a water molecule.
<DT><I>Pair style lj/cut/coul/long/tip4p requires atom attribute q</I>
<DT><I>Pair style lj/cut/tip4p/long requires atom attribute q</I>
<DD>The atom style defined does not have these attributes.
<DT><I>Pair style lj/cut/coul/long/tip4p requires newton pair on</I>
<DT><I>Pair style lj/cut/tip4p/long requires newton pair on</I>
<DD>This is because the computation of constraint forces within a water
molecule adds forces to atoms owned by other processors.
@ -8020,7 +8020,7 @@ variable doc page for ideas on how to make this work.
<DD>Self-explanatory.
<DT><I>Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p</I>
<DT><I>Water H epsilon must be 0.0 for pair style lj/cut/tip4p/long</I>
<DD>This is because LAMMPS does not compute the Lennard-Jones interactions
with these particles for efficiency reasons.