dft_tools

Commit Graph

Author	SHA1	Message	Date
Manuel	ad3a23196a	Replace pytriqs with python. There are still some more occurances of pytriqs. Is on my list to be checked.	2018-07-02 19:16:50 -04:00
Nils Wentzell	9d87d0be15	Updating import directives, minor correction to commit	2018-05-01 11:55:31 +02:00
Oleg E. Peil	f7fddb1f5c	Replaced path to VASP dir to path to VASP executable (GK)	2016-12-31 14:49:05 +01:00
Oleg E. Peil	6d1891a99a	Fixed problems with SC script * Fixed obvious bugs: -- forgotten 'import re' -- import user script by name from string -- 'import converter' instead of 'import plovasp...' * Number of iterations provided by the bash-script now has an affect. * Added a possibility to specify an alternative cfg-file	2016-05-10 11:47:58 +02:00
Oleg E. Peil	9112587d18	Fixed a path to pytriqs in shell scripts Now 'pytriqs' is invoked with an absolute path to the current TRIQS installation. This ensures that the scripts will call a compatible version of 'pytriqs'.	2016-03-24 19:57:49 +01:00
Oleg E. Peil	428232a27f	Fixed a typo in 'vasp_dmft.bash.in'	2016-03-24 14:37:03 +01:00
Oleg E. Peil	daf40074b2	Added a charge self-consistency script The charge self-consistency script is run from bin directory. The corresponding Python script 'sc_dmft.py' has been modified accordingly.	2016-03-11 18:49:29 +01:00
Oleg E. Peil	ea87d5bf11	Fixed module and library paths In version 1.4 all python applications moved from the root python library to `pytriqs/` subdirectory.	2016-03-11 12:14:31 +01:00
Oleg E. Peil	edf5038140	Added a shell script for running PLOVasp converter The script simply runs pytriqs with an auto-executable module `plovasp.converter`.	2016-03-11 11:35:19 +01:00

9 Commits