François Coppens
f5a2e635cf
Added environment variables source script. Added test script that loops over update cycles. Added test program that loops internally over test cycles.
2021-02-28 09:28:42 +01:00
François Coppens
8e0aef7717
Restructuring complete. Updated makefile.
2021-02-27 12:25:55 +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
François Coppens
00fcaf2309
Replaced dataset.
2021-02-25 13:00:17 +01:00
François Coppens
3df8d33bfa
Problems with MaponiA3 when calling from C++ with HDF5 datasets is fixed. Bug was caused by uninitialised values of NEWed variables at several places. There are still a few remaining memory leaks. Explore with:
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valgrind --track-origins=yes --leak-check=full --show-leak-kinds=all
2021-02-25 12:17:45 +01:00
François Coppens
225c841a88
* Fixed the 3x3 MaponiA3 C++ example. Update_index vector cannot have values that are smaller than 1 because the first colums in Fortran is stored at 1 and not 0.
...
* Started debugging reading from HDF5 formatted datasets. Slater_inv needs to be transposed before sent to Maponi. Algo fails at the last step. Correct Slater and Inverse fail to produce the identity matrix. Suspect that the matMul function is not working correctly eventhough it looks like it does.
2021-02-24 18:41:48 +01:00
François Coppens
28f6de48ee
TO BE AMENDED
2021-02-23 08:28:09 +01:00
François Coppens
7f4483f19e
- Made test.cpp use variable dataset.
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- Started cleanup and restructuring file tree.
2021-02-23 07:04:55 +01:00
François Coppens
b4787e6803
Test infrastructure for hdf5 datasets and python hdf5 datasert conversion tool.
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Made small corrections to compensate for changes made after branching-off from test_dataset.
Everything compilers
Everything works except for the HDF5 dataset test program that gives an I/O error.
2021-02-22 15:44:41 +01:00
Pablo Oliveira
061c9b9f21
Add test infrastructure for datasets
2021-02-16 10:49:15 +01:00
