jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

fixed integer division problem in python code snippet 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2016-08-22 22:35:23 +00:00
parent 2fff78a78e
commit 55fe1f6b29
1 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
doc/src/compute_sna_atom.txt
View File

@ -177,18 +177,18 @@ described by the following piece of python code:
for j1 in range(0,twojmax+1):
if(diagonal==2):
print j1/2,j1/2,j1/2
print j1/2.,j1/2.,j1/2.
elif(diagonal==1):
for j in range(0,min(twojmax,2*j1)+1,2):
print j1/2,j1/2,j/2
print j1/2.,j1/2.,j/2.
elif(diagonal==0):
for j2 in range(0,j1+1):
for j in range(j1-j2,min(twojmax,j1+j2)+1,2):
print j1/2,j2/2,j/2
print j1/2.,j2/2.,j/2.
elif(diagonal==3):
for j2 in range(0,j1+1):
for j in range(j1-j2,min(twojmax,j1+j2)+1,2):
if (j>=j1): print j1/2,j2/2,j/2 :pre
if (j>=j1): print j1/2.,j2/2.,j/2. :pre
Compute {snad/atom} evaluates a per-atom array. The columns are
arranged into {ntypes} blocks, listed in order of atom type {I}. Each