TREX/Sherman-Morrison
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10 Commits

Author SHA1 Message Date
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
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
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. 
- 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 
- 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