cp2k/tests/Fist/sample_psf/sio2.psf
Teodoro Laino c0af6492e2 expanding the possibility of the exclusion lists for vdw and ei + regtest. (useful for forcefield
which require 1-2 NB interactions and have also bend terms: suggested from Sergey)


svn-origin-rev: 9236
2009-11-27 10:40:44 +00:00

28 lines
526 B
Text
Executable file

PSF EXT
1 !NTITLE
Conversion from XYZ file
3 !NATOM
1 M1 1 PLATE Si Si 4.000000 28.085
2 M1 1 PLATE O O -2.000000 15.999
3 M1 1 PLATE O O -2.000000 15.999
2 !NBOND
1 2 1 3
1 !NTHETA
2 1 3
0 !NPHI
0 !NIMPHI
0 !NDON
0 !NACC
0 !NNB
0 !NGRP