Malte Schueler
13252201e3
minor improvments in plovasp documentation
2019-12-20 10:51:58 +01:00
Malte Schüler
ce6ff62af4
fixed tests for reading e-fermi from DOSCAR. Clean up of plovasp (prints from bugfixing
2019-11-25 09:53:05 +01:00
Malte Schüler
7a6450b6fa
implemented multiple ncsf VASP cycles
2019-09-16 10:59:46 +02:00
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
