Francois Coppens
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7fb5ead349
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Added and tested Woodbury 3x3 kernel to QMCkl.
Residual = wb3 14 9.92936e-07 1.90518e-11
ok -- cycle 14
Residual = qmckl_wb3 14 9.92936e-07 1.90518e-11
ok -- cycle 14.
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2021-07-22 11:44:37 +02:00 |
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Francois Coppens
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e188871df4
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Fixed unsigned int/uint64_t/H5::PredType::STD_U32LE problem in qmckl_test_h5.cpp that caused the segmentation faults due to array indices running out of bounds. Naive Sherman-Morrison and Woodbury 2x2 kernels are working correctly from QMCkl with good accuracy.
Residual = sm1 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = qmckl_sm1 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = wb2 23 2.665e-07 5.85161e-13
ok -- cycle 23
Residual = qmckl_wb2 23 2.665e-07 5.85161e-13
ok -- cycle 23
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2021-07-22 10:45:21 +02:00 |
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Francois Coppens
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e314987bb7
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Added Woodbury 2x2 to QMCkl test program tests/qmckl_test_h5.cpp. For now it crashes with a segmentation fault when run on a cycle with 2 updates (qmckl_test_h5 wb2 3 3 1e-3 1) .
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2021-07-21 17:37:21 +02:00 |
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Francois Coppens
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b9cc63cf8c
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Fixed test so it uses the qmc=chem dataset. Test passes but segfaults on cycles with more than one update.
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2021-07-21 16:25:02 +02:00 |
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Pablo Oliveira
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0f7d613956
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Fix linking problem against libqmckl
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2021-07-21 12:24:01 +02:00 |
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Francois Coppens
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b7764bb229
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Trying to fix linking against QMCkl.
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2021-07-21 11:48:32 +02:00 |
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Francois Coppens
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8961f78ea2
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- Added a new test program tests/qmckl_test_h5.cpp that uses SM1 (qmckl_sherman_morrison_c) from the QMCkl library.
- Added build entry in Makefile for tests/qmckl_test_h5.cpp. #25
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2021-07-20 16:58:04 +02:00 |
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Francois Coppens
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579bb50dca
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Added QMCkl as a git submodule in /home/fcoppens/code/Sherman-Morrison/qmckl. #25
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2021-07-19 14:33:25 +02:00 |
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