Nils Wentzell
095409d879
Major cleaning, Synchronize project structure with qmc codes
2019-04-12 16:36:03 -04:00
Nils Wentzell
4d2ba07226
Make generation of generated docs optional through docs_cpp2rst target
2019-04-02 11:13:11 -04:00
Dylan Simon
203783ceba
[jenkins] try a more robust git push
2019-03-06 11:51:25 -05:00
Nils Wentzell
da10fdeb55
[cmake] Define version numbers explicitly
2019-03-05 15:19:57 -05:00
Nils Wentzell
96c085a69f
[jenkins] Adjust email adressses for jenkins reports
2019-02-21 11:01:22 -05:00
Nils Wentzell
50c1ce40a5
[jenkins] Adjust email adressses for jenkins reports
2019-02-21 11:00:59 -05:00
Nils Wentzell
412c0c5b73
[jenkins] Build deb packages only for tagged releases
2019-01-28 15:04:30 -05:00
Nils Wentzell
9d1a19b26f
[deb] Remove explicit cpp2py package dependency (deduced from triqs)
2019-01-22 10:21:19 -05:00
Nils Wentzell
29e650de34
[deb] Remove explicit cpp2py package dependency (deduced from triqs)
2019-01-22 09:47:53 -05:00
Manuel
4bbbcf93f1
[doc] Clean and merge python example scripts
2018-12-13 14:23:00 -05:00
Manuel Zingl
5a8996731d
Merge pull request #101 from TRIQS/vasp-update-2.0
...
VASP interface update
2018-12-12 12:11:14 -05:00
Oleg E. Peil
072011133b
docs(plovasp): add various fxies to PLOVasp documentation
2018-12-12 14:18:29 +01:00
Oleg E. Peil
c4028dcbd9
docs(conv_vasp): add reference and link to PLO formalism in VASP
2018-12-12 14:16:54 +01:00
Manuel
a8c7569830
change del to with when reading hdf
2018-12-06 17:28:49 -05:00
Manuel
85c8c2b58c
[doc] minor fixes
2018-12-04 16:24:26 -05:00
Dylan Simon
29b5018018
[jenkins] try a more robust git push
2018-12-04 13:50:12 -05:00
Manuel
e8303aea2a
Fix include in converter test
2018-12-04 12:59:02 -05:00
Manuel
d8488efd98
[doc] Remove todos in doc
2018-12-04 12:54:29 -05:00
aichhorn
b14e802859
(doc) New structure for the converter tools doc
2018-12-04 12:54:29 -05:00
aichhorn
10018c6aa6
first version of the SrVO3 tutorial / Wien2k version
2018-12-04 12:54:29 -05:00
aichhorn
9cf4521fec
new structure for doc
2018-12-04 12:54:29 -05:00
Oleg E. Peil
ef9919c0f6
docs (plovasp): small fixes in PLOVasp docs
2018-12-04 12:54:29 -05:00
Oleg E. Peil
9081ce634c
docs (conversion): update VASP-conversion documentation
2018-12-04 12:54:29 -05:00
Oleg E. Peil
c2dfc3fb6c
fix (plovasp tests): remove pytriqs...
prefix from imports
2018-12-04 12:54:29 -05:00
Oleg Peil
a304e0ed36
Fixed bugs in converter tests
2018-12-04 12:52:02 -05:00
Oleg Peil
d029aa8e3e
Added two tests to check conversion to h5 DFT input
2018-12-04 12:52:02 -05:00
Oleg Peil
04e1e86a4b
Added test of input of ion equiv groups
2018-12-04 12:52:02 -05:00
Oleg Peil
14f8b1d9e1
Fixed tests affected by recent changes
2018-12-04 12:52:02 -05:00
Oleg Peil
64605e3267
Fixed VaspConverter to read ion sorts properly
2018-12-04 12:52:02 -05:00
Oleg Peil
19ce8a83e8
Modified check and output of projectors to a pg-file
2018-12-04 12:52:02 -05:00
Oleg Peil
0fa24a28ef
Modified ProjectorShell object accordingly
...
* Modified ProjectorShell to retrieve dictionary 'ions' from
the input and construct a list of equivalence classes (ion sorts).
2018-12-04 12:52:02 -05:00
Oleg Peil
7471691219
Added possibility to specify equivalent groups of ions
...
* Added a new input format for the list of ions. It is now possible
to group ions (like this [1 2] [5 6]) that are considered
equivalent in the solver. This has required changing the internal
variable 'ion_list' to a dictionary 'ions' which can later be
enhanced by other features (such as specifying ions by element name).
2018-12-04 12:52:02 -05:00
Dylan Simon
3539ffd336
[jenkins] Add CTEST_OUTPUT_ON_FAILURE=1
2018-11-29 16:01:39 -05:00
Dylan Simon
a42838a8db
[jenkins] Add CTEST_OUTPUT_ON_FAILURE=1
2018-11-29 14:20:35 -05:00
Nils Wentzell
16fe4b2eab
Minor correction to 759bb9d
2018-11-29 10:46:57 -05:00
Nils Wentzell
e61c3a7851
[jenkins] Adjust CMAKE_PREFIX_PATH after recent triqs update
2018-11-28 14:39:36 -05:00
Nils Wentzell
0335e53adf
Adjust cmake-related install dirs to more standard directories
2018-11-28 13:02:26 -05:00
Nils Wentzell
837c886e60
[cmake] Minor fix in Findlibasan_rt.cmake
2018-11-26 18:33:03 -05:00
Nils Wentzell
aef818bc28
add float-cast-overflow and float-divide-by-zero to ubsan checks
2018-11-26 12:04:35 -05:00
Nils Wentzell
9e442be0e0
Always export compile commands to json file
2018-11-26 12:03:54 -05:00
Nils Wentzell
002642f97c
Change standard install path of cmake files
2018-11-21 16:59:19 -05:00
Nils Wentzell
759bb9da1d
Fix the sanitizers for MacOs
2018-11-21 16:52:55 -05:00
Nils Wentzell
46cbea69d9
[cmake] Enable CMP0074, adjust if(obj) statements
2018-11-20 17:53:10 -05:00
Nils Wentzell
bd0f4f64ec
[doc] Update and add website logos
2018-11-01 14:06:59 -04:00
Nils Wentzell
24d619b8be
[cmake] Add Debug flags, Update Triqs version, optional tests
2018-10-11 17:17:53 -04:00
Nils Wentzell
9f03870f26
[cmake] Use CPLUS_INCLUDE_PATH over CPATH to favor -isystem includes
2018-10-11 17:17:12 -04:00
Gernot J. Kraberger
9076baf9d6
sumk_dft: split transform_to_sumk_blocks from put_Sigma
...
this is done in a backward-compatible manner
2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
d8a2693123
block_structure: introduce space parameter
...
in methods convert_gf, create_gf, check_gf
2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
ef979199af
sumk_dft: split transform_to_solver_blocks from extract_G_loc
...
this is done in a backward-compatible manner
2018-10-08 21:29:49 +02:00
Gernot J. Kraberger
d0f0c20865
change isinstance for new TRIQS
...
this fixes test analyse_block_structure_from_gf
2018-10-08 21:29:49 +02:00