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Author	SHA1	Message	Date
François Coppens	8883bb3372	Merge pull request #38 from fmgjcoppens:fix/makefile ... Fixed Makefiles	2021-05-21 16:38:23 +02:00
Francois Coppens	68584d9c99	- Fixed bug in Makefile so everything compiles against MKL for all compilers. ... - Updates Makefile.verificarlo to enable linking against MKL	2021-05-21 16:19:08 +02:00
François Coppens	5c9b9f359c	Merge pull request #37 from fmgjcoppens:add/lapack ... add/lapack	2021-05-21 12:00:55 +02:00
François Coppens	c8df88b4ef	Made lapack/MKL inclusion in code dependent on preprocessor macro 'MKL'. Automatic build should now succeed.	2021-05-21 11:54:57 +02:00
François Coppens	6c9c68c93d	Added LAPACK option to test_h5.cpp to compare residuals and number of operations.	2021-05-20 19:21:59 +02:00
François Coppens	ab661ad785	Merge pull request #35 from fmgjcoppens/fix/abs2fabs ... Fix/abs2fabs	2021-05-19 15:27:43 +02:00
François Coppens	17c8a1c7a0	Code restyled. Added restyling script. Code for determinant is not working because it gets stuck in an infinite recursion loop.	2021-05-19 15:23:19 +02:00
François Coppens	0e5bbbbffb	Replaced inappropriate std::abs() occurences with std::fabs() in C++ code.	2021-05-12 16:11:47 +02:00
François Coppens	5693e177ba	Re-applied code formatting on C++ code with clang-format --style=llvm.	2021-05-10 14:50:45 +02:00
François Coppens	0984682bdf	Merge pull request #34 from fmgjcoppens/fix/slagel_splitting ... Various fixes	2021-05-10 14:29:02 +02:00
Francois Coppens	adf893ed6f	- Various fixes ... - Merged MaponiA3 and MaponiA3S into one file.	2021-05-07 17:11:04 +02:00
Aurélien Delval	99b297435c	Add squared Frobenius norm to vfc_test_h5 ... Besides the new variable addition, vfc_test_h5 has also be made simpler by executing directly all the possible lagorithms (instead of requiring argument). This results in a much more concise vfc_tests_config.json, since only one executable invocation is required.	2021-05-07 13:23:50 +02:00
Pablo de Oliveira Castro	fb6153ba68	Merge pull request #33 from PurplePachyderm/dev ... Updated vfc_tests_config.json with SM4	2021-05-06 11:42:23 +02:00
Aurélien Delval	348fe14dd0	Updated vfc_tests_config.json with SM4 ... Because the algorithm to use is passed as a parameter to vfc_tests_h5, it was necessary to update the tests configuration to add a new execution.	2021-05-06 11:37:32 +02:00
Pablo de Oliveira Castro	8595a598cc	Merge pull request #32 from pablooliveira/sm4 ... First implementation of SM4	2021-05-06 11:06:56 +02:00
Pablo Oliveira	ada8cd6888	Fix typo	2021-05-06 11:01:07 +02:00
Pablo Oliveira	f4becac4c0	First implementation of SM4 ... SM4: Sherman Morrison, mix between SM3 + SM2 Leave zero denominators for later (SM3), and when none are left then split (SM2)	2021-05-06 10:51:42 +02:00
François Coppens	ff1f5655e5	Merge pull request #31 from fmgjcoppens/add/slagel_to_ma3 ... Adding Slagel-splitting to Maponi algorithm 3	2021-05-05 12:22:39 +02:00
François Coppens	3ee4d3b56d	- Added a small 3x3 example that will always become singular regardles the order of the applied updates. This example is added to test Maponi A3 augmented with Slagel-splitting. ... - Slagel-splitting in Maponi A3 is now working. A thourough analysis on the QMC=Chem datasets still has te be done. - Acceptance tollerance in 'test_h5' on the residuals can be set at runtime now.	2021-05-05 11:59:00 +02:00
Francois Coppens	e3815267fb	* Added SM{1,2,3} algorithms to Fortran module ... * Deleted final ylk array in MaponiA3(S) * Output of Valgrind seem to suggest there are no major memory problems.	2021-05-05 11:59:00 +02:00
François Coppens	fb3ed9ce0c	In Maponi A3, converted divisions into multiplications.	2021-05-05 11:59:00 +02:00
François Coppens	af64b91ca6	Started debugging Slagel-splitting in MaponiA3.	2021-05-05 11:59:00 +02:00
François Coppens	7cef89e2b5	Slagel-splitting implemented but not tested yet.	2021-05-05 11:59:00 +02:00
Pablo de Oliveira Castro	82de072bed	Merge pull request #30 from PurplePachyderm/dev ... Integration of Verificarlo CI	2021-05-04 15:59:42 +02:00
Aurélien Delval	c322f194c7	Install HDF5 dependencies in CI	2021-05-03 16:57:51 +02:00
Aurélien Delval	eb75c55982	[auto] Set up Verificarlo CI on this branch	2021-05-03 16:35:24 +02:00
Aurélien Delval	624699e716	Update tests config with correct makefile	2021-05-03 16:33:39 +02:00
Aurélien Delval	44f0fc1f51	Update vfc_ci code	2021-05-03 15:47:44 +02:00
Aurélien Delval	d81777e347	Add CI dataset and the tool to generate it. ... Since the dataset must be accessible from the CI runner, the best solution is probably to commit a small dataset containing only the required cycles. It's included in this commit, and can be generated by extract-from-h5.py using the same cycles list as the one used by vfc_test_h5.cpp. Moreover, the probes exported by vfc_test_h5.cpp are now 0-padded, which will result in a better sorting in the results.	2021-05-03 13:59:43 +02:00
Aurélien Delval	18d1e2b785	Move Makefile.vfc_ci to Makefile.verificarlo ... With the current setup, the CI should be able to be deployed correcly. However, we still ned to find the best solution to pull the dataset on the runner so the tests can be executed on it.	2021-04-30 11:22:22 +02:00
Aurélien Delval	1d1da00931	Integration of vfc_ci ... The vfc_ci tool has been directly added to the repository, since it's not integrated into Verificarlo yet. The vfc_test_h5.cpp file defines a test inspired by test_h5.cpp that reads a list of cycles and dump the vfc_probes for these cycles.	2021-04-29 23:41:23 +02:00
François Coppens	bd9bd62fe9	Merge pull request #29 from fmgjcoppens/prep ... Various small unrelated modifications	2021-04-19 15:22:39 +02:00
Francois Coppens	b863d40c05	- Setting break-down threshold trough smvars.sh ... - Fixed SM3 to escape infinite update-loop	2021-04-15 18:13:26 +02:00
Francois Coppens	e5648f7485	Ran: clang-format --style=LLVM on *.cpp and *.hpp files.	2021-04-15 14:38:42 +02:00
Francois Coppens	fad8eb2e89	- Fixed small dataset cycle 8169 to transform to replacement updates and regenerated the hdf5 file. ... - Simplified makefiles.	2021-04-15 12:17:12 +02:00
Francois Coppens	1201718f28	Preped files, headers, functions, test_h5 and Makefiles for MaponiA3S.	2021-04-14 17:18:31 +02:00
François Coppens	7399010a42	Merge pull request #27 from fmgjcoppens/restructure ... Restructure	2021-04-14 16:54:09 +02:00
Francois Coppens	991f40a605	Moved common MaponiA3 functions to SM_Helpers.{cpp,hpp} to prepare for MaponiA3+Slagel splitting.	2021-04-14 16:19:49 +02:00
Francois Coppens	ab9d13180a	Small restructuring and cleaning up spurious includes and and namespaces.	2021-04-14 15:32:54 +02:00
François Coppens	bc1fcc1ce9	Merge pull request #26 from fmgjcoppens/mat_properties ... - Added python program that computes general properties of a given Slater-matrix...	2021-04-14 11:48:00 +02:00
Francois Coppens	152093dd7c	- Added python program that computes general properties of a given Slater-matrix. ... - 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
François Coppens	23dfb25d9a	Merge pull request #25 from fmgjcoppens/testing ... - Updated cleaning target in Makefile	2021-04-09 17:46:16 +02:00
Francois Coppens	c2f643ad8f	- Updated cleaning target in Makefile ... - Updated gitignore - Added python script to compute basic statistical observables from testruns - Added test bash script to automate test_h5: the cycles in the dataset are not continues and test_h5 crashes if a cycle number is not present in the dataset. - Added common threshold for all 3 standard SM algos.	2021-04-09 17:23:14 +02:00
François Coppens	5175797a6d	Merge pull request #24 from fmgjcoppens/fix/CI_compile ... Fixed CI:compile	2021-04-06 17:20:33 +02:00
Francois Coppens	24bbcbf1a8	Fixed CI:compile	2021-04-06 17:08:34 +02:00
François Coppens	8649574933	Merge pull request #23 from fmgjcoppens/cleanup ... Cleanup	2021-04-06 16:59:35 +02:00
Francois Coppens	7caf12c296	Cleaned up: datasets, test-program name, Makefiles. Use column numbers in SM_Standard.cpp.	2021-04-06 16:17:42 +02:00
Francois Coppens	0014513b1a	Made the build environment a bit more intelligent. Easily switchable by using 'source smvars.sh {intel|llvm|gnu}'.	2021-04-01 13:50:58 +02:00
titeup	545fe71547	Merge pull request #21 from titeup/dev ... inital commit of Makefile.verificarlo	2021-03-29 13:33:47 +02:00
titeup	2adbd2b819	add clang-7 to CI	2021-03-29 11:14:17 +02:00