File: topology_atoms_WAT.psf

package info (click to toggle)
cp2k 2025.1-1.1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 366,832 kB
  • sloc: fortran: 955,049; f90: 21,676; ansic: 18,058; python: 13,378; sh: 12,179; xml: 2,173; makefile: 964; pascal: 845; perl: 492; lisp: 272; cpp: 137; csh: 16
file content (25 lines) | stat: -rw-r--r-- 458 bytes parent folder | download | duplicates (38)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
 PSF

   1 !NTITLE
     Topology file for water

     3   !NATOM
       1 WAT     1 WAT  O    O          0.000000     15.999400       0
       2 WAT     1 WAT  H    H          0.000000      1.008000       0
       3 WAT     1 WAT  H    H          0.000000      1.008000       0

     2   !NBOND
       1       2       1       3     

     1   !NTHETA
       2       1       3 

     0   !NPHI

     0   !NIMPHI

     0   !NDON

     0   !NACC

     0   !NNB