7 Commits

Author	SHA1	Message	Date
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: ... 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	7f4483f19e	- Made test.cpp use variable dataset. ... - 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. ... 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