File: Si.nn.mliap.descriptor

package info (click to toggle)
lammps 20220106.git7586adbb6a%2Bds1-2
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 348,064 kB
  • sloc: cpp: 831,421; python: 24,896; xml: 14,949; f90: 10,845; ansic: 7,967; sh: 4,226; perl: 4,064; fortran: 2,424; makefile: 1,501; objc: 238; lisp: 163; csh: 16; awk: 14; tcl: 6
file content (14 lines) | stat: -rw-r--r-- 160 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
# Descriptor parameters generated in PyXtal_FF 

# Required 
rcutfac 5.0 
nmax 3 
lmax 4 
alpha 2.0 

# Elements 

nelems 1 
elems Si 
radelems 0.5 
welems 14