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
5693e177ba
Re-applied code formatting on C++ code with clang-format --style=llvm.
2021-05-10 14:50:45 +02:00
Francois Coppens
adf893ed6f
- Various fixes
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- Merged MaponiA3 and MaponiA3S into one file.
2021-05-07 17:11:04 +02:00
Pablo Oliveira
f4becac4c0
First implementation of SM4
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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
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.
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- 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
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* 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
Francois Coppens
1201718f28
Preped files, headers, functions, test_h5 and Makefiles for MaponiA3S.
2021-04-14 17:18:31 +02:00
Francois Coppens
ab9d13180a
Small restructuring and cleaning up spurious includes and and namespaces.
2021-04-14 15:32:54 +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
c2f643ad8f
- Updated cleaning target in Makefile
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- 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
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
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
