Francois Coppens
c0d21dd9af
Various
2022-10-02 10:20:11 +02:00
Francois Coppens
152093dd7c
- Added python program that computes general properties of a given Slater-matrix.
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- Added a Verificarlo option to smvars.sh that sets the Verificarlo backend and uses LLVM for compilation.
- Fixed residual_max() to give the Max-norm.
2021-04-14 11:42:45 +02:00
Francois Coppens
6cd9fb1072
- Moved transposing of Slater_inv to HDF5 conversion tool and removed it from the test program.
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- Let Maponi A3 continue, even after the algorithm breaks down.
2021-03-18 14:06:06 +01:00
François Coppens
5d4a7af01a
File tree restructured. Written build script build.sh. TODO: convert buld script into Makefile.
2021-02-26 17:28:52 +01:00