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@11906 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-05-02 21:47:08 +00:00
parent 5e0c91dc3e
commit 19267785f5
16 changed files with 57 additions and 38 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
doc/Section_python.html
View File

@ -545,12 +545,12 @@ this:
natoms = lmp.get_natoms()
n3 = 3*natoms
x = (n3*c_double)()
x<B>0</B> = x coord of atom with ID 1
x<B>1</B> = y coord of atom with ID 1
x<B>2</B> = z coord of atom with ID 1
x<B>3</B> = x coord of atom with ID 2
x[0] = x coord of atom with ID 1
x[1] = y coord of atom with ID 1
x[2] = z coord of atom with ID 1
x[3] = x coord of atom with ID 2
...
x<B>n3-1</B> = z coord of atom with ID natoms
x[n3-1] = z coord of atom with ID natoms
lmp.scatter_coords("x",1,3,x)
</PRE>
<P>Alternatively, you can just change values in the vector returned by