Issues · fleur / fleur · GitLab

Reactivation and automation of enhanced Force routines (+ refactoring?) 19 of 24 tasks completed

#509 · opened Oct 11, 2020 by Alexander Neukirchen Feature Request To Do
- CLOSED
- 17
updated Jan 13, 2021
Orbital decomposition crashes

#266 · opened May 10, 2019 by Bernd Zimmermann Bug Code stability issue Feature Request Probably solved
- CLOSED
- 2
updated Dec 02, 2020
Restart for MetaGGAs

#298 · opened Aug 16, 2019 by Matthias Redies Feature Request
- CLOSED
- 0
updated Dec 02, 2020
Extend `-trace` option with a coredump

#413 · opened Mar 21, 2020 by Matthias Redies Feature Request
- CLOSED
- 0
updated Dec 02, 2020
Improve float types in the inputschema

#518 · opened Nov 02, 2020 by Henning Janssen Feature Request
- CLOSED
- 9
updated Dec 01, 2020
LibXC GGA & MetaGGA in the vaccuum

#284 · opened Jul 10, 2019 by Matthias Redies Feature Request
- CLOSED
- 4
updated Nov 24, 2020
Force contributions a_12 and a_21 in out file are wrong iff parallelization is used

#42 · opened Aug 22, 2016 by Gregor Michalicek Feature Request
- CLOSED
- 1
- 1
updated Nov 23, 2020
Test Fe_bct_LO should be made "cleaner"

#30 · opened Jul 29, 2016 by Gregor Michalicek Feature Request
- CLOSED
- 2
updated Sep 28, 2020
Duplicate parameters dimension%neigd and input%gw_neigd

#28 · opened Jul 20, 2016 by Gregor Michalicek Feature Request
- CLOSED
- 1
updated Sep 28, 2020
Check old cotra1 to MATMUL translation.

#27 · opened Jul 05, 2016 by Gregor Michalicek Feature Request
- CLOSED
- 1
updated Sep 28, 2020
Eigenvalue parallelism does not work with LOs and noco

#19 · opened Jun 08, 2016 by Daniel Wortmann Feature Request
- CLOSED
- 1
updated Sep 28, 2020
Input in out.xml file is incomplete.

#394 · opened Feb 21, 2020 by Jens Bröder Bug Feature Request
- CLOSED
- 3
updated Sep 16, 2020
Parameters never read from inp.xml file

#107 · opened May 17, 2017 by Gregor Michalicek Discussion Feature Request Input generation
- CLOSED
- 1
updated Aug 19, 2020
Fleur with superheavy elements

#467 · opened Jun 28, 2020 by Miro Iliaš Feature Request
- CLOSED
- 4
updated Jul 06, 2020
Remove structures, stars, step functions,... in cdn.hdf, whenever there is no related charge density

#426 · opened Apr 03, 2020 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
updated Jun 16, 2020
Conversion of cdn.hdf between noco and FFN

#440 · opened May 07, 2020 by Henning Janssen Feature Request WIP branch
- CLOSED
- 40
updated Jun 08, 2020
Enable more calculations in inp.xml

#97 · opened May 15, 2017 by Daniel Wortmann Discussion Feature Request
- CLOSED
- 4
updated Jun 03, 2020
Move triangle decomposition to inpgen

#377 · opened Jan 31, 2020 by Henning Janssen Feature Request
- CLOSED
- 2
updated May 07, 2020
Plot-related stuff

#430 · opened Apr 17, 2020 by Alexander Neukirchen Feature Request
- CLOSED
- 8
updated May 04, 2020
Write out a single file with the noncollinear magnetization density

#244 · opened Jan 16, 2019 by Gregor Michalicek Feature Request User friendliness
- CLOSED
- 1
- 8
updated Apr 16, 2020

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