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Author SHA1 Message Date
Nils Wentzell
87a67e8d06 [cmake] Add -Wextra compiler warnings globally 2019-04-22 11:24:53 -04:00
Nils Wentzell
bb518a3e4c [doc] Small fix in conf.py.in 2019-04-16 18:11:20 -04:00
Nils Wentzell
f4ba085165 Add missing logos to docs 2019-04-16 18:11:20 -04:00
Dylan Simon
6177707c73 [jenkins] check branch name in simpler way 
that works
 2019-04-16 17:41:46 -04:00
Nils Wentzell
816bdcb02d Bump cpp2py version requirement 2019-04-16 17:04:27 -04:00
Nils Wentzell
4f5fb4670b [doc] Update index.rst page 2019-04-16 17:03:23 -04:00
Nils Wentzell
d64b27495e Bump cpp2py version requirement 2019-04-16 16:56:44 -04:00
Manuel
2fb39e7bf2 [doc] ChangeLog update 2019-04-16 16:38:17 -04:00
Nils Wentzell
9e606ab9ca [cmake] Bump Version number and triqs requirement to 2.2(dev) 2019-04-16 16:32:44 -04:00
Manuel
b516978606 [doc] Update ChangeLog 2019-04-16 16:31:14 -04:00
Dylan Simon
0f8cf50cd4 [jenkins] always update submodules on unstable/master 
not just for tagged commits like release branches
 2019-04-16 15:43:03 -04:00
Nils Wentzell
00b940dc17 [doc] Synchronize install page with qmc solvers 2019-04-16 15:04:04 -04:00
Nils Wentzell
57c5c8a892 [cmake] Remove remainders of separate cpp2py install (now included with triqs) 2019-04-16 11:17:17 -04:00
Nils Wentzell
800ef7c0b4 Prepare top-level CMakeLists.txt for triqs@2.1 compatible release 2019-04-16 11:09:27 -04:00
Nils Wentzell
66164ed8a4 Bump cmake version requirement 2019-04-15 16:45:59 -04:00
Nils Wentzell
b1ba2d4d68 Update README to account for alternate rename commands 2019-04-15 16:45:21 -04:00
Nils Wentzell
7f29a3f624 Additional docs and cleaning in XXX-config.cmake.in file 2019-04-15 16:45:21 -04:00
Nils Wentzell
ff9536bf91 [cmake] Fix in specification of working directory for python tests 2019-04-12 18:06:44 -04:00
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