The libxc website moved years ago to libxc.gitlab.io

Author: susilehtola

source/features.rst

@@ -15,7 +15,7 @@ List of features
 
 * Interface to XC functional library `XCFun <https://github.com/dftlibs/xcfun>`_
 
-* Interface to XC functional library `Libxc <http://www.tddft.org/programs/octopus/wiki/index.php/Libxc>`_
+* Interface to XC functional library `Libxc <https://libxc.gitlab.io>`_
 
 * Interface to tensor contraction library `TBLIS <https://github.com/devinamatthews/tblis>`_
 

source/install.rst

@@ -83,7 +83,7 @@ Next, you need to build the C extensions in :file:`pyscf/lib`::
 This will automatically download the analytical GTO integral library
 `libcint <https://github.com/sunqm/libcint.git>`_ and the DFT exchange
 correlation functional libraries `Libxc
-<http://www.tddft.org/programs/Libxc>`_ and `XCFun
+<https://libxc.gitlab.io>`_ and `XCFun
 <https://github.com/dftlibs/xcfun.git>`_.  Finally, to allow Python to
 find the `pyscf` package, add the top-level `pyscf` directory (not the
 `pyscf/pyscf` subdirectory) to `PYTHONPATH`.  For example, if `pyscf`

source/user/dft.rst

@@ -55,11 +55,11 @@ Predefined *xc* Functionals and Functional Aliases
 The choice of *xc* functional is assigned via the attribute :attr:`DFT.xc`. This is a comma separated string (precise grammar discussed :ref:`below <user_dft_custom_func>`, e.g., ``xc = 'pbe,pbe'`` denotes PBE exchange plus PBE correlation. In common usage, a single name (alias) is often used to refer to the combination of a particular exchange and correlation approximation instead. To support this, PySCF will first examine a lookup table to see if :attr:`DFT.xc` corresponds to a common compound name, and if so, the implementation dispatches to the appropriate exchange and correlation forms, e.g., ``xc = 'pbe'`` directly translates to ``xc = 'pbe,pbe'``. However, if the name is not found in the compound functional table, and only a single string is given, it will be treated as an exchange functional only, e.g., ``xc = 'b86'`` leads to B86 exchange only (without correlation). Please note that earlier PySCF versions (1.5.0 or earlier)
 did not support compound functional aliases, and both exchange and correlation always had to be explicitly assigned. 
 
-PySCF supports two independent libraries of *xc* functional implementations, namely `Libxc <https://www.tddft.org/programs/libxc/>`_ and `XCFun <https://xcfun.readthedocs.io/en/latest/>`_. 
+PySCF supports two independent libraries of *xc* functional implementations, namely `Libxc <https://libxc.gitlab.io>`_ and `XCFun <https://xcfun.readthedocs.io/en/latest/>`_. 
 The former of these is the default, but the latter may be selected by setting ``DFT._numint.libxc = dft.xcfun``, cf. `dft/32-xcfun_as_default.py <https://github.com/pyscf/pyscf/blob/master/examples/dft/32-xcfun_as_default.py>`_.
 For complete lists of the available density functional approximations, the user is referred to the ``XC_CODES`` dictionaries in `pyscf/dft/libxc.py <https://github.com/pyscf/pyscf/blob/master/pyscf/dft/libxc.py>`_ and `pyscf/dft/xcfun.py <https://github.com/pyscf/pyscf/blob/master/pyscf/dft/xcfun.py>`_, respectively. The user can choose the library at runtime in order to leverage any of its exclusive features.
 
-The constant maintenance and development of density functional libraries is hard work at little personal benefit, while everyone benefits from having a huge variety of density functionals in numerically stable form for use in applications. If you use Libxc in your calculations, please cite the most up-to-date work on Libxc in your paper. You can see the most up-to-date citation on the `Libxc web page <https://www.tddft.org/programs/libxc/>`_; at the moment, this is :cite:`lehtola_libxc_softwarex_2018`. Likewise, if you use XCFun in your calculations, please cite the most up-to-date work on XCFun in your paper. You can find recent citations on the `XCFun web page <https://github.com/dftlibs/xcfun/>`_; at present, this is :cite:`ekstroem_xcfun_jctc_2010`. Please check your log files for the library used in your calculation (you may need to increase the ``DFT.verbose`` setting of your calculation to see this).
+The constant maintenance and development of density functional libraries is hard work at little personal benefit, while everyone benefits from having a huge variety of density functionals in numerically stable form for use in applications. If you use Libxc in your calculations, please cite the most up-to-date work on Libxc in your paper. You can see the most up-to-date citation on the `Libxc web page <https://libxc.gitlab.io>`_; at the moment, this is :cite:`lehtola_libxc_softwarex_2018`. Likewise, if you use XCFun in your calculations, please cite the most up-to-date work on XCFun in your paper. You can find recent citations on the `XCFun web page <https://github.com/dftlibs/xcfun/>`_; at present, this is :cite:`ekstroem_xcfun_jctc_2010`. Please check your log files for the library used in your calculation (you may need to increase the ``DFT.verbose`` setting of your calculation to see this).
 
 .. _user_dft_custom_func: