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Author SHA1 Message Date
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
titeup
7c312e8871 inital commit of Makefile.verificarlo 2021-03-29 10:49:57 +02:00
François Coppens
3a99393e8f
Merge pull request #20 from fmgjcoppens/tmp 
- Moved transposing of Slater_inv to HDF5 conversion tool and removed…
 2021-03-18 14:16:24 +01:00
Francois Coppens
6cd9fb1072 - Moved transposing of Slater_inv to HDF5 conversion tool and removed it from the test program. 
- Let Maponi A3 continue, even after the algorithm breaks down.
 2021-03-18 14:06:06 +01:00
François Coppens
333be9326c
Merge pull request #19 from PurplePachyderm/dev 
Adding simple workflow to test compilation
 2021-03-16 09:22:53 +01:00
Aurélien Delval
0842a94cec Adding simple workflow to test compilation 2021-03-15 17:07:02 +01:00
Pablo de Oliveira Castro
21b421327c
Merge pull request #18 from pablooliveira/version 
Add version name to tests
 2021-03-15 16:41:21 +01:00
Pablo Oliveira
c10ded9cdd Add version name to tests 2021-03-15 16:00:16 +01:00
Pablo de Oliveira Castro
c2015c6e3f
Merge pull request #17 from pablooliveira/fix-makefile 
Fix Makefile
 2021-03-15 15:33:47 +01:00
Pablo Oliveira
a95304225d Fix Makefile 2021-03-15 15:31:42 +01:00
François Coppens
2230eb0fbe
Merge pull request #16 from pablooliveira/slagel 
New implementations for Sherman Morisson
 2021-03-15 14:27:25 +01:00
Pablo Oliveira
f096db6411 New implementations for Sherman Morisson 
- SM2: Slagel splitting implementation
    (http://hdl.handle.net/10919/52966)

  - SM3: Keep close to zero denominators for later

  - Update tests to show the squared residual
 2021-03-15 14:01:38 +01:00
François Coppens
a68554366c
Merge pull request #15 from fmgjcoppens/replacement_updates 
Replacement updates
 2021-03-12 16:24:36 +01:00
François Coppens
4e7c4de0e8 tests/test_internal_h5 and test_external_h5 updated to use replacement updates instead of additive updates. 2021-03-12 16:18:03 +01:00
François Coppens
6012b9decf 4x4 with 2 updates example is working again after adding update cycle 8169 dataset but with replacement updates instead of additive updates. 2021-03-12 15:49:02 +01:00
François Coppens
ef97b40196 Changed code to treat the dataset as replacement updates, instead of additive updates. Before the updates are used to compute the inverse they are transformed accordingly. 
However, this breaks the 4x4 example in update cycle 8169.
 2021-03-12 12:38:50 +01:00
François Coppens
4c7a567750
Merge pull request #14 from fmgjcoppens/fix/repl_matMul_calls 
Replaced old matMul() function calls.
 2021-03-11 15:09:07 +01:00
François Coppens
a1c77a22c8 Replaced old matMul() function calls. 2021-03-11 15:04:35 +01:00
François Coppens
d6169cc6ab
Merge pull request #13 from fmgjcoppens/loop-merge 
Loops merged
 2021-03-10 18:21:32 +01:00
François Coppens
081fbfc1d8 Loop merge successful. 
Next step: reduce the number of indices of ylk by not keeping
all the previous solutions.
 2021-03-10 16:56:22 +01:00
François Coppens
e18e80ff5c Removed matMul() from Helpers.hpp and renamed matMul2() to matMul(). 2021-03-10 15:27:53 +01:00
François Coppens
ffbde8f88c More changes to debug output. 2021-03-10 12:18:08 +01:00
François Coppens
de8e89df75 Change in debug output. 2021-03-10 11:54:43 +01:00
François Coppens
3b3567040b Added more debug output. 2021-03-10 11:41:34 +01:00
François Coppens
a9604b3838 Cleaned-up main loop. 2021-03-09 10:43:00 +01:00
François Coppens
066e50914c Regularised main loop. 2021-03-09 10:43:00 +01:00
Francois Coppens
9c82092cff Removed dependence on a breakdown array. 2021-03-09 10:40:47 +01:00
Francois Coppens
b2c6847ed8 Add debug comments 2021-03-09 10:39:58 +01:00
Francois Coppens
3f60779700 Cleanup 2021-03-09 10:39:58 +01:00
François Coppens
983f87d504 Rewrote matMul function so it doesn't declare memory inside. 2021-03-09 10:39:58 +01:00
François Coppens
f352a09815
Merge pull request #12 from pablooliveira/SMStandard 2021-03-07 17:17:26 +01:00
Pablo Oliveira
4bd61dd76c Add a standard Sherman-Morisson implementation 
- It can serve as a baseline reference

- It can serve as a starting point for including the pivot
  and splitting techniques from Maponi and Slaggel without the full
  complexity of the MaponiA3 algorithm
 2021-03-05 17:00:48 +01:00
François Coppens
133558d98f
Merge pull request #11 from fmgjcoppens/tests 
Added environment variables source script. Added test script that loo…
 2021-02-28 09:33:39 +01:00
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
ba0c0c3213
Merge pull request #10 from fmgjcoppens/restructure 
Restructuring of file tree
 2021-02-27 12:29:06 +01:00
François Coppens
8e0aef7717 Restructuring complete. Updated makefile. 2021-02-27 12:25:55 +01:00