Commits · 7ce1cbe0b5189b2c861366a61b4e717702a03987 · fleur / fleur

13 Apr, 2017 1 commit
- Store some symmetry data in cdn.hdf and pot.hdf · 38f2ffe3
  Gregor Michalicek authored Apr 13, 2017
  
  38f2ffe3
12 Apr, 2017 1 commit
- Nearly finished changing structure, stars, stepfunction, lattice harmonics in cdn.hdf · 7e2002eb
  Gregor Michalicek authored Apr 12, 2017
```
- Relaxation of atom positions now works as it should.
- The code also becomes clearer.
```
  7e2002eb
07 Apr, 2017 1 commit

Getting nearer to changing structure, stars, stepfunction, lattice harmonics in cdn.hdf · e2dad80b

Gregor Michalicek authored Apr 07, 2017

- Relaxation of atom positions should work now, but it is not yet beautiful.
   -> An unnecessary additional step function is store in cdn.hdf in this case.

e2dad80b

29 Mar, 2017 1 commit
- Even more steps towards changing structure, stars, stepfunction, lattice harmonics in cdn.hdf · f91cf039
  Gregor Michalicek authored Mar 29, 2017
```
This is surely still buggy. ...not as buggy as the last commit.
...There is light at the end of the tunnel.
```
  f91cf039