The SPHInX repository Christoph Freysoldt
- Login: freysoldt
- Registered on: 01/06/2016
- Last connection: 07/02/2024
Issues
| open | closed | Total | |
|---|---|---|---|
| Assigned issues | 0 | 0 | 0 |
| Reported issues | 0 | 0 | 0 |
Projects
| Project | Roles | Registered on |
|---|---|---|
| SPHInX | Developer, Reporter | 09/01/2020 |
| SPHInX-releases | Manager, Developer, Reporter | 05/09/2019 |
Activity
02/13/2025
- 07:14 PM SPHInX Revision d3f1e911 (sphinx): merge SxAtomicOrbitalsGR with SxAtomicOrbitals
- 07:14 PM SPHInX Revision 6cf240c2 (sphinx): cleanup in SxAtomicOrbitals
- (1) use getRadFunc where possible
(2) remove obsolete 'toVector' in writeHDF5
(3) rename radialBasisPtr to basisPtr
(... - 02:27 PM SPHInX Revision e70a3905 (sphinx): slightly clean up SxAtomicOrbitals in prep for merge with SxAtomicOrbitalsGR
02/12/2025
- 06:45 PM SPHInX Revision b63bee5d (sphinx): truncated AO projectors a la SxHubbardMO
- 06:36 PM SPHInX Revision 72f9697e (sphinx): keep G-space orbitals for SxFragmentOrbitals in SxAtomicOrbitalsGR rather than arrays
- 06:29 PM SPHInX Revision 922115ac (sphinx): augment SxAtomicOrbitalsGR with refOrbitalMap, so it can provide both shape type (is)(n,l) and full (is)(n,l,m) orbitals
- 10:45 AM SPHInX Revision e13e5bf5 (sphinx): move duplicated AO read-in to auxiliary function
02/11/2025
- 02:42 PM SPHInX Revision aeaaaac0 (sphinx): move AoIndex and OrbitalIndex container classes out of SxAOBasis
02/10/2025
- 06:20 PM SPHInX Revision 2158be9b (sphinx): fix PAW radial basis when reading atomic orbitals from potential
02/07/2025
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