Francois Coppens
b7764bb229
Trying to fix linking against QMCkl.
2021-07-21 11:48:32 +02:00
François Coppens
2a39aabaf0
Cleanup 1
2021-07-15 17:56:33 +02:00
Francois Coppens
efe96cbeea
First implementation of Woodbury 2x2 and 3x3 kernels.
2021-06-10 08:46:40 +02:00
Francois Coppens
68584d9c99
- Fixed bug in Makefile so everything compiles against MKL for all compilers.
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- Updates Makefile.verificarlo to enable linking against MKL
2021-05-21 16:19:08 +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
Francois Coppens
adf893ed6f
- Various fixes
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- Merged MaponiA3 and MaponiA3S into one file.
2021-05-07 17:11:04 +02:00
Francois Coppens
b863d40c05
- Setting break-down threshold trough smvars.sh
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- Fixed SM3 to escape infinite update-loop
2021-04-15 18:13:26 +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
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