Commits · 6791c4fbd327000fecf32c56af059df7f0cb3430 · fleur / fleur · GitLab

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16 May, 2017 3 commits
- Allow t and f for boolean values in inp.xml · 6791c4fb
  Gregor Michalicek authored May 16, 2017
  
  6791c4fb
- Added some debugging compiler options · 07f86c73
  Gregor Michalicek authored May 16, 2017
  
  07f86c73
- Fixed segmentation fault in force calculation · d6321012
  Gregor Michalicek authored May 16, 2017
  
  d6321012
15 May, 2017 3 commits
- Ignore minDistance check if input%l_f is set · bbabe6a3
  Gregor Michalicek authored May 15, 2017
```
This is done to avoid premature termination of fleur before the forces
are calculated.
```
  bbabe6a3
- Fixed typo · 72d6bfa1
  Daniel Wortmann authored May 15, 2017
  
  72d6bfa1
- A typo corrected in a comment · cf803269
  Uliana Alekseeva authored May 15, 2017
  
  cf803269
04 May, 2017 8 commits
- Eliminated circular dependence juDFT<->xmlOutput · 2e62c7a2
  Gregor Michalicek authored May 04, 2017
  
  2e62c7a2
- Be more modern · c434cbca
  Daniel Wortmann authored May 04, 2017
  
  c434cbca
- Output nicer :-) · 8138b3ef
  Daniel Wortmann authored May 04, 2017
  
  8138b3ef
- Introduce inpgen help mode · 85e3d8c1
  Gregor Michalicek authored May 04, 2017
  
  85e3d8c1
- Add -noco switch to inpgen/fleur command line to activate optional noco output in inp.xml · 6ea5c695
  Gregor Michalicek authored May 04, 2017
  
  6ea5c695
- Fix bug in optional/plotdop.f90. · 060f2089
  Gregor Michalicek authored May 04, 2017
```
Now loading the density should work.
```
  060f2089
- Added some info output · 6cb653df
  Daniel Wortmann authored May 04, 2017
  
  6cb653df
- Make sure openmp works with old intel compiler · b2c73ba9
  Daniel Wortmann authored May 04, 2017
  
  b2c73ba9
03 May, 2017 17 commits
- Bugfix of last commit · d1ceaa8e
  Daniel Wortmann authored May 03, 2017
  
  d1ceaa8e
- Move inp_new.xml to inp.xml automatically, change and delete some files · e7935c2f
  Daniel Wortmann authored May 03, 2017
  
  e7935c2f
- Corrected missmatch of sizes in io/cdnpot_io_hdf.F90 · 86901f0e
  Gregor Michalicek authored May 03, 2017
  
  86901f0e
- Added missing bracket in io/cdnpot_io_hdf.F90 · e00aaee7
  Gregor Michalicek authored May 03, 2017
  
  e00aaee7
- Merge branch 'develop' of fleur-git:fleur into develop · 05f3baf3
  Daniel Wortmann authored May 03, 2017
  
  05f3baf3
- Bugfix: IO of core charge · 0f0329ab
  Daniel Wortmann authored May 03, 2017
  
  0f0329ab
- Formalized bfh buffer and delet the file at the end of inpgen · c1b62fb2
  Gregor Michalicek authored May 03, 2017
  
  c1b62fb2
- Bugfix of last commit · a14a5ef7
  Daniel Wortmann authored May 03, 2017
  
  a14a5ef7
- Changed force mode not to write inp_new in xml case · b9421750
  Daniel Wortmann authored May 03, 2017
  
  b9421750
- Deleted old output to unit 2 in cdngen · 7a181029
  Daniel Wortmann authored May 03, 2017
  
  7a181029
- Removed some debugging output/reminders from r_inpXML · 8ef333e1
  Daniel Wortmann authored May 03, 2017
  
  8ef333e1
- Cmake: added stop if gfortran<6.3 is used · e0cb67ab
  Daniel Wortmann authored May 03, 2017
  
  e0cb67ab
- Corrected bug (typo) in tests/CMakeLists.txt · 7353ba6f
  Gregor Michalicek authored May 03, 2017
  
  7353ba6f
- Fixed compiler options for older ifort · d34fc3ba
  Daniel Wortmann authored May 03, 2017
  
  d34fc3ba
- Bugfix in eigenso · 58d6a8ea
  Daniel Wortmann authored May 03, 2017
  
  58d6a8ea
- Merge branch 'develop' of fleur-git:fleur into develop · 6d1dc06e
  Daniel Wortmann authored May 03, 2017
  
  6d1dc06e
- Updated ctests to deal better with parallel tests · d873f49c
  Daniel Wortmann authored May 03, 2017
  
  d873f49c
02 May, 2017 8 commits
- Fixed error switch in main/fleur_init.F90 · ad85406f
  Gregor Michalicek authored May 02, 2017
  
  ad85406f
- Fixed MPI parallelization problem in for readPotential in eigen_soc/eigenso.F90 · 193fa3c6
  Gregor Michalicek authored May 02, 2017
  
  193fa3c6
- Remove debug output from r_inpXML · bee6a48f
  Gregor Michalicek authored May 02, 2017
  
  bee6a48f
- Added stop to avoid crash :-) · b051bb38
  Daniel Wortmann authored May 02, 2017
  
  b051bb38
- Small changes to output · a470eb5f
  Daniel Wortmann authored May 02, 2017
  
  a470eb5f
- Corrected typo in last commit · 441b85a5
  Daniel Wortmann authored May 02, 2017
  
  441b85a5
- Merge branch 'develop' of fleur-git:fleur into develop · 89595eb9
  Daniel Wortmann authored May 02, 2017
  
  89595eb9
- mcd&orb mode not initialized in DOS · d7ab183b
  Daniel Wortmann authored May 02, 2017
  
  d7ab183b
01 May, 2017 1 commit
- Improve error messages related to eigenvector parallelization in hsmt_sph and hsmt_overlap · 9c877fa3
  Gregor Michalicek authored May 01, 2017
  
  9c877fa3