Registered
by
Alberto Garcia
A library to compute the exchange and correlation energy and potential in spherical (i.e. an atom)
or periodic systems. It is based on SiestaXC.
The project is now maintained in https:/
part of the Electronic Structure Library (https:/
Project information
- Maintainer:
- GridXC Developers
- Driver:
- GridXC Developers
- Licence:
- Simplified BSD Licence
View full history Series and milestones
trunk series is the current focus of development.
All code Code
- Version control system:
- Bazaar
- Programming languages:
- Fortran
All bugs Latest bugs reported
-
Bug #1904354: gcc-10: Error: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)).
Reported -
Bug #1899578: Fails to build with with the option WITH_LIBXC=1 with libxc-5.0.0
Reported -
Bug #1811459: Index for -k vector in fftr
Reported -
Bug #1811270: Make sys.F90 an optional requirement
Reported -
Bug #1749602: Incompatibility with LibXC 4
Reported
All blueprints Latest blueprints
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Hybrid XC functionals
Registered -
Use standard CPP options
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Upgrade source code to Fortran 2003
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Incorporate BSC's cellxc as an option
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Use an opaque gridxc object for config and xc info
Registered
