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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

Folder: dft

d .. (parent)
d d rwxr-xr-x 93 hartree-fock
- - rw-r--r-- 292 basis_sets.md
- - rw-r--r-- 197,392 cdft-becke-atomicsize.png
- - rw-r--r-- 193,254 cdft-becke.png
- - rw-r--r-- 834,209 cdft-fragment-constraint.png
- - rw-r--r-- 147,744 cdftci-h2-dissociation.png
- - rw-r--r-- 60,559 cdftscf.png
- - rw-r--r-- 47,881 constrained.md
- - rw-r--r-- 25,652 cutoff.md
- - rw-r--r-- 203 gapw.md
- - rw-r--r-- 1,244 gpw.md
- - rw-r--r-- 178 index.md
- - rw-r--r-- 228 linear_scaling.md
- - rw-r--r-- 4,158 local_ri.md
- - rw-r--r-- 22,844 lrigpw_example.inp
- - rw-r--r-- 337 pseudopotentials.md