LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-23 12:55:17 +01:00
Code Issues Releases Wiki Activity
1,279 Commits 10 Branches 21 Tags 87 MiB
c202286341
Commit Graph

1279 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Nils Wentzell
a14bf3975b [cmake] Add option BUILD_ALWAYS to function external_dependency for force build 2020-04-28 17:18:25 -04:00
Nils Wentzell
984a89e569 [cmake] Bump version requirement to 3.3.2, set CMP0057 2020-04-28 16:34:00 -04:00
Nils Wentzell
d9f8e1e0bf [cmake] Use GIT_TAG instead of TAG for external_dependency function 2020-04-28 16:25:28 -04:00
Nils Wentzell
cce7b5cd2f [cmake] Change Build_Deps option to take either Never/Always/IfNotFound, cleaning 
- Use Global Properties to check if a package has been found.
  This information should not go in the cmake cache
 2020-04-28 16:23:30 -04:00
Nils Wentzell
8c407831c8 [cmake] Improve command line output for dependency configuration 2020-04-28 10:51:06 -04:00
Nils Wentzell
a619870f92 Minor refactoring in external_dependency.cmake 2020-04-27 15:50:35 -04:00
aichhorn
85d4664d96 started SOC tutorial 2020-04-27 16:22:11 +02:00
Nils Wentzell
c99ee1820e [cmake] Handle dependencies with external_dependency(...) function + doc 2020-04-24 17:52:27 -04:00
Nils Wentzell
1ff66fd1f3 [cmake] Minor cleanings 2020-04-24 17:51:19 -04:00
Nils Wentzell
3f71381f1b [cmake] Be sure fill INTERFACE_INCLUDE_DIRECTORIES for installed library targets 2020-04-24 17:50:26 -04:00
Nils Wentzell
1959a60d15 [cmake] Make sure deps/download.sh clones only if dirs do not exist yet 2020-04-22 15:11:37 -04:00
Nils Wentzell
ebe9add3c7 [cmake] Add gitignore file to deps directory 2020-04-22 15:07:33 -04:00
Nils Wentzell
4120eb5f99 [cmake] Add BUILD_SHARED_LIBS option, continue to build static by default 2020-04-22 15:06:15 -04:00
Nils Wentzell
ed5812988f [cmake] Improve cmake status messages if we are a subproject 2020-04-22 15:05:37 -04:00
Nils Wentzell
b9d934554c [cmake] Manage dependencies in a seperate deps subdirectory 2020-04-22 15:04:30 -04:00
Nils Wentzell
2736682002 [cmake] Remove googletest subtree 2020-04-22 14:56:53 -04:00
Alexander Hampel
d9e5a4d3aa added printout of complex part of local Hamiltonian in the Vasp converter 2020-04-17 02:20:23 -07:00
Alexander Hampel
bb7419f586 fix for the sigma_from_file test, commit 05fd3fe3bdf45cf21a021cb204449050057d1435 revealed that the test never worked correctly 2020-04-16 12:22:33 -04:00
Alexander Hampel
62c810d8d6 Merge branch 'py3' of github.com:TRIQS/dft_tools into py3 2020-04-15 11:29:03 -04:00
Alexander Hampel
508f6b393c changed ref file for block structure test, since the order in dicts is not guaranteed the test failed as the order in py3 changed 2020-04-15 11:28:51 -04:00
Nils Wentzell
d9fa71fbec Fix additional integer division to use floordiv 2020-04-14 11:21:33 -04:00
Nils Wentzell
4698f9db6e [py3] Run 2to3 on all ipython notebooks 2020-04-09 14:47:51 -04:00
Nils Wentzell
d3f68310a6 [cmake] Use target_link_libraries with keyword for cpp2py modules 2020-04-08 17:41:18 -04:00
Nils Wentzell
961215ccac Adjust to nda/h5 changes in triqs pytriqs.archive -> h5 
-pytriqs.archive.hdf_archive_schemes -> h5.formats
 2020-04-08 17:41:18 -04:00
Nils Wentzell
6cc6cd8b7a Do not use deprecated set_from_inverse_fourier 2020-04-08 17:41:18 -04:00
Nils Wentzell
45999d1edc [cmake] Properly use TRIQS_PYTHON_EXECUTABLE for testing 2020-04-08 17:41:18 -04:00
Nils Wentzell
b2a447d07d Relative imports should only be used within modules 2020-04-08 17:41:18 -04:00
Nils Wentzell
b2a5e93c1f [py3] Fix tests based on ordering in dictionaries 2020-04-08 17:41:14 -04:00
Nils Wentzell
e2a1534272 [py3] properly cast strings to float 2020-04-08 17:41:14 -04:00
Nils Wentzell
392c94d4c3 [py3] set is now a builtin type 2020-04-08 17:41:14 -04:00
Nils Wentzell
b1d9229e83 [py3] Use free function next(..) for generator expressions 2020-04-08 17:41:14 -04:00
Nils Wentzell
6d5e04f006 [py3] Use isinstance for proper type checking 2020-04-08 17:41:14 -04:00
Nils Wentzell
484e10ef1f [py3] Be sure to properly use floor division in various places 2020-04-08 17:41:06 -04:00
Nils Wentzell
2b673f7926 [py3] In Python3 xrange was replaced by range 2020-04-08 16:14:01 -04:00
Nils Wentzell
0598b5f0a4 [py3] In python3 zip is identical to itertools.izip 2020-04-08 16:13:51 -04:00
Nils Wentzell
97d4e0b402 [py3] Run 2to3 -w -n **/*.py **/*.py.in 2020-04-08 16:13:42 -04:00
aichhorn
c1fdfd1d8f Added Tutorial fro basis rotations: Sr2MgOsO6 w/o SOC 2020-04-07 20:50:37 +02:00
Nils Wentzell
2d4b9c6298 [cmake] Use PYTHON_EXECUTABLE over PYTHON_INTERPRETER to be consistent with gtest, pybind .. 2020-04-03 16:22:09 -04:00
Nils Wentzell
b70084789d [cmake] Make sure to properly use target_link_libraries with cpp2py modules 2020-04-03 16:21:45 -04:00
Nils Wentzell
ed1e683b69 Port py files to python3 2020-04-03 16:21:07 -04:00
Nils Wentzell
68cac838cc Adjust hdf5 usage to changes in triqs/nda 2020-04-03 16:20:03 -04:00
Markus Aichhorn
8e8ce2b67b
Merge pull request #135 from the-hampel/unstable 
Fixing a bug in the vasp converter for multiple sites per unit cell
 2020-04-02 12:49:35 +02:00
Alexander Hampel
d9a8271b4e updated test h5 file for LNO converter test, because of fixed bug 2020-04-01 12:03:07 -04:00
Alexander Hampel
0e05d0687f fixed a index bug that produced empty projectors for a unit cells with multiple shells 2020-04-01 11:13:28 -04:00
Alexander Hampel
bf8bfbe59b Merge branch 'unstable' of github.com:the-hampel/dft_tools into unstable 2020-04-01 11:09:11 -04:00
hschnait
ec2184259e Correct description of Transformation matrix 2020-03-31 15:54:16 +02:00
aichhorn
5f2782980e worked on the sr2mgoso6 tutorial 2020-03-31 09:43:05 +02:00
aichhorn
d6977d8bee cleaned up files in Sr2MgOsO6 doc 2020-03-30 15:55:02 +02:00
aichhorn
a77844ea1a First draft of the Sr2MgOsO6 w/o SOC doc 2020-03-30 15:46:54 +02:00
aichhorn
a3f792386e updated SOC doc 2020-03-30 13:24:14 +02:00