LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-07-18 00:43:41 +02:00
Code Issues Releases Wiki Activity
1,192 Commits 10 Branches 20 Tags 84 MiB
9a33958161
Commit Graph

1192 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
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
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