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dftlibs
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xcfun
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
https://dftlibs.org/xcfun/
Mozilla Public License 2.0
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Building with Intel Compilers (icpc / icc) not working
#69
chjacob-tubs
closed
6 years ago
13
Python bindings are linked statically
#68
chjacob-tubs
closed
6 years ago
0
Fix python bindings
#67
chjacob-tubs
closed
6 years ago
10
Announcements and planning
#66
robertodr
closed
4 years ago
3
Fortran support becomes optional, default: --fc-support=on
#65
bast
closed
6 years ago
5
reformat autocmake infrastructure files
#64
bast
closed
6 years ago
1
Python bindings not compiling anymore
#63
chjacob-tubs
closed
6 years ago
5
Reintroduce Fortran compiler options in setup script
#62
chjacob-tubs
closed
6 years ago
15
Fortran API
#61
robertodr
closed
4 years ago
2
Document how to build and link with CMake
#60
robertodr
closed
4 years ago
2
Refactor Cmake
#59
robertodr
closed
6 years ago
10
Move API files into a top-level api folder
#58
robertodr
closed
6 years ago
1
Format sources using clang-format
#57
robertodr
closed
6 years ago
2
Update list of authors with GH handles
#56
robertodr
closed
6 years ago
0
Re-license under the MPLv2.0
#55
robertodr
closed
6 years ago
1
AlexBorgoo.mb
#54
ajborgoo
closed
6 years ago
1
Functional cannot be initialized in language X and used in language Y
#53
bast
closed
4 years ago
18
IBM xlC compiler and xcfun
#52
miroi
closed
4 years ago
3
Activate -fPIC when building Python library
#51
chjacob-tubs
closed
6 years ago
0
Possible bug in functional definition
#50
ilfreddy
closed
4 years ago
9
Create ElisaRebolini.md
#49
erebolini
closed
6 years ago
1
[WIP] Additional overlay for the functional setup.
#48
ilfreddy
closed
6 years ago
5
update comments in enum xc_vars; fixes #45
#47
bast
closed
6 years ago
8
A parser for "mode" and "var"
#46
ilfreddy
closed
4 years ago
20
Order of xc_vars in xcfun.h is not intuitive
#45
bast
closed
6 years ago
2
Suggestion: Port Python interface from SWIG to either CFFI or pybind11
#44
bast
closed
4 years ago
10
Python interface is untested during automated tests
#43
bast
closed
5 years ago
5
Restore OS X tests; fixes #41
#42
bast
closed
6 years ago
0
Travis tests fail on OS X
#41
bast
closed
6 years ago
0
fixes doc build issue on rtd due to non-ascii characters
#40
bast
closed
6 years ago
1
Deploy to Read the Docs; fixes #38
#39
bast
closed
6 years ago
0
Deploy documentation to Read the Docs
#38
bast
closed
6 years ago
0
restore testing
#37
bast
closed
6 years ago
0
make sure XC_MAX_ORDER is never undefined; fixes #35
#36
bast
closed
6 years ago
3
XC_MAX_ORDER is undefined when built as standalone with CMake
#35
bast
closed
6 years ago
0
Update CMake infrastructure and remove explicit Makefiles
#34
bast
closed
6 years ago
2
Add JonasJuselius.md [ci skip].
#33
juselius
closed
6 years ago
2
Outdated documentation
#32
fabijan5
closed
4 years ago
2
Create SarahReimann.md
#31
sarahr
closed
6 years ago
0
cannot compile Dirac after upgrade mac to High Sierra
#30
gvozdetsky
closed
6 years ago
6
Enforce XC_MAX_ORDER=3 at least
#29
robertodr
closed
6 years ago
1
‘const struct functional_data’ has no member named ‘fp2’
#28
mariavd
closed
6 years ago
7
Fixed clang error: call to 'cbrt' is ambiguous
#27
yurivict
closed
7 years ago
6
Fix relicensing statements to comply with format
#26
robertodr
closed
6 years ago
1
Create ChristophJacob.md
#25
chjacob-tubs
closed
7 years ago
1
[Testing] ALL tests failing on Travis
#24
robertodr
closed
6 years ago
2
Create MiroslavIlias.md
#23
miroi
closed
7 years ago
4
Build fails: error: call to 'cbrt' is ambiguous
#22
yurivict
closed
7 years ago
3
Radovan Bast grants permission to relicense under MPLv2
#21
bast
closed
7 years ago
0
Grant permission to relicense under MPLv2
#20
robertodr
closed
7 years ago
0
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