10 Commits

Author	SHA1	Message	Date
harrisonlabollita	b15e9bef03	docstring fro init_dmftpr	2021-11-16 06:59:32 -07:00
Alexander Hampel	b16374be5f	add init_dmftpr to cmake lists and adapt documentation	2021-11-09 08:27:04 -05:00
Harry LaBollita	0d25d7eb15	Update bin/init_dmftpr ... Co-authored-by: Hermann Schnait <42941106+hschnait@users.noreply.github.com>	2021-11-08 17:03:33 -05:00
Harry LaBollita	0c4c63f917	Update bin/init_dmftpr ... Co-authored-by: Hermann Schnait <42941106+hschnait@users.noreply.github.com>	2021-11-08 17:03:33 -05:00
harrisonlabollita	ab7d2f5151	add basis from file	2021-11-08 17:03:33 -05:00
harrisonlabollita	df7c885705	fixed edge cases	2021-11-08 17:03:33 -05:00
harrisonlabollita	5ff53d6dc6	minor tweaks	2021-11-08 17:03:32 -05:00
harrisonlabollita	27f642b11d	helper script to write inmdftpr file	2021-11-08 17:03:32 -05:00
Alexander Hampel	a1b5421864	fix for python binary, c order for arrays, and NiO tutorial	2021-08-16 12:51:55 -04:00
Alexander Hampel	11d394fd5b	synchronize dfttools with app4triqs structure ... * moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir	2020-06-10 17:45:53 +02:00