Nils Wentzell
8bcb6f3391
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x
2021-06-09 15:06:03 -04:00
Alexander Hampel
1dfe861164
Merge pull request #171 from TRIQS/hschnait-patch-2
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Bugfix in block_structure.py for multi-shell-systems
2021-06-09 14:26:54 -04:00
Hermann Schnait
da2eb26940
Bugfix in block_structure.py
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In the (rare) case that one has multiple shells with different number of orbitals (e.g. p-d-systems) the old code crashed when converting GFs from the second shell as matrix dimensions were not fitting (the tmp matrix was always created for the first shell).
2021-06-09 13:06:25 +02:00
Dylan Simon
7a69fb1a47
[jenkins] updates for new jenkins node
2021-06-03 14:39:01 -04:00
Nils Wentzell
ba7edf6053
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x
2021-05-28 14:43:10 -04:00
Dylan Simon
db0b1ab82e
[jenkins] switch osx to gcc-11
2021-05-27 17:27:11 -04:00
Alexander Hampel
550199fe97
Merge pull request #166 from jkarp314/patch-2
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update SVO tutorial for dft tools 3
2021-02-25 13:51:37 -05:00
Jonathan Karp
783dba2ae3
update SVO tutorial for dft tools 3
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I changed the expression for gf_struct so that it works with dft_tools 3.
While I was at it, I took out the definition of 'l' since it's not used
2021-02-25 12:41:57 -05:00
Nils Wentzell
5031acea73
[ghactions] Be sure to apt-get update before apt-get install
2021-01-22 15:40:08 -05:00
Alexander Hampel
5f658e93c3
Merge pull request #158 from TRIQS/hschnait-patch-1
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python3 bugfix in doc
2021-01-14 09:13:43 -05:00
Hermann Schnait
b4040055b5
triqs3 bugfix in doc
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Brackets for print-statement were missing
2021-01-14 10:41:10 +01:00
Nils Wentzell
1f8cf2462b
[gh-actions] Install numpy scipy and mpi4py through pip3 instead of brew
2020-10-30 16:00:09 -04:00
Nils Wentzell
103a7fdefd
[gh-actions] Fix broken llvm brew install command
2020-10-30 16:00:03 -04:00
Nils Wentzell
8870ca8adf
[gh-actions] Do not stop all builds if one of them fails
2020-10-30 15:59:54 -04:00
Alexander Hampel
7ed25b8ae7
fix for malformed cmake options table
2020-10-06 09:16:59 -04:00
Nils Wentzell
682a257a1b
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into 3.0.x
2020-09-10 13:11:48 -04:00
Nils Wentzell
76cb6414f6
[cmake] Properly suppress comma subscript warning on both clang and gcc
2020-09-10 10:11:41 -04:00
Dylan Simon
b849c4383d
Merge branch '3.0.x' into unstable
2020-09-10 10:02:27 -04:00
Dylan Simon
b6809e7dad
Merge remote-tracking branch 'app4triqs/3.0.x' into 3.0.x
2020-09-09 21:36:27 -04:00
Dylan Simon
7c8d2ff37d
[jenkins] update osx to python3.8
2020-09-09 19:32:24 -04:00
Dylan Simon
87637f8d68
[jenkins] switch to gcc-10 on osx
2020-09-09 19:03:28 -04:00
Nils Wentzell
5dbd12f165
[cmake] Use FindGit.cmake in external_dependency.cmake, Improve error message on clone failure
2020-09-09 15:51:00 -04:00
Nils Wentzell
14d30a1a14
[cmake] Do not warn about unkown warning options
2020-09-09 12:03:55 -04:00
Alexander Hampel
943b994345
fix for bug in wannier90 converter
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* the Fermi level given in the inp file was ignored
* added a new line reporting which energy is subtracted from mu
2020-09-08 19:23:23 +02:00
Alexander Hampel
526e1b1277
update link to dft_tools github in sidebar
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The link in the sidebar of the github logo to the dft_tools repo was wrong
2020-09-08 19:23:16 +02:00
Nils Wentzell
9878d38a53
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable
2020-08-14 12:40:06 -04:00
Nils Wentzell
056c421871
Fit tail explicitly in analyse_block_structure_from_gf2.py
2020-08-13 17:17:07 -04:00
Nils Wentzell
caf5da4a3a
Fix in easybuild template, check for static lib by default
2020-08-13 09:28:47 -04:00
Nils Wentzell
df285d3fb8
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable
2020-08-10 11:19:42 -04:00
Nils Wentzell
57a08de155
[doc] Revert to cloudflare mathjax url
2020-08-10 11:13:14 -04:00
Nils Wentzell
a15569f18b
[doc] No need to store agogo sphinx theme
2020-08-10 11:13:14 -04:00
Nils Wentzell
d72b245d56
[cmake] Disable warnings about use of comma operator in subscript operator
2020-08-10 11:13:14 -04:00
Nils Wentzell
bcaf78501b
Minor adjustments in easybuild template
2020-08-10 11:13:10 -04:00
Nils Wentzell
8c54de18d9
Fix mistake in naming if easybuild script
2020-08-10 09:55:31 -04:00
Nils Wentzell
cb4f4711cb
[doc] Fix sidebar version number
2020-08-08 21:19:37 -04:00
Nils Wentzell
0e3c3a48a5
Fix osx build environment in github actions workflow
2020-08-08 20:47:23 -04:00
Nils Wentzell
de8b2bd95e
Merge remote-tracking branch 'app4triqs-remote/3.0.x' into unstable
2020-08-08 16:37:03 -04:00
Nils Wentzell
e31cbd0f76
[doc] Update status badge for GH Actions
2020-08-08 15:24:13 -04:00
Nils Wentzell
23568264b5
Replace travis.yml by github workflow
2020-08-08 15:19:54 -04:00
Nils Wentzell
182550a831
[cmake] Make sure imported targets are always global, some copyright header adjustments
2020-08-07 10:53:16 -04:00
Nils Wentzell
abdc51ca94
Add template easybuild script
2020-08-06 13:44:09 -04:00
Nils Wentzell
7047ac8373
Add template for conda packaging
2020-08-06 13:44:02 -04:00
Alexander Hampel
b3763ffb0f
typo fix in ChangeLog
2020-08-06 09:40:44 +02:00
Manuel Zingl
3a78f18cfc
dmftproj: add option to specify band indices
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This adds another option and a mode flag in dmftproj:
* third value in window line defines now the mode
* new option to provide an energy window where all
bands which are within the window (at least at one k-point)
are taken into account for the projectors.
* updates to documention to reflects those changes
2020-08-04 17:48:06 +02:00
Alexander Hampel
1323ccbe65
fix for rst file
2020-08-04 10:58:04 +02:00
Alexander Hampel
378f743b09
Update for hdf5 structure reference
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- added missing corr to inequiv information
- added a Vasp specific section and added missing information
2020-08-04 10:51:01 +02:00
Nils Wentzell
eb68c32562
Update changelog for app4triqs 3.0.0 release
2020-08-03 15:39:20 -04:00
Nils Wentzell
43720b8f8f
[cmake] Use find_package over find_dependency in config.cmake.in to improve cmake version compatibility
2020-08-03 15:39:20 -04:00
Alexander Hampel
5d406b22d9
complete ChangeLog with missing commits from BSrotations branch
2020-08-03 18:53:49 +02:00
Dylan Simon
1eabf19570
Revert "[jenkins] inject test failure to test email"
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This reverts commit ff8124ea24
.
2020-08-03 11:32:27 -04:00