Francois Coppens
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e1b325ab18
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Added Sherman-Morrison with update splitting. For now the headers for qmckl_slagel_splitting_c and qmckl_sherman_morrison_splitting_c are not generated. #25
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2021-07-22 18:05:39 +02:00 |
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Francois Coppens
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c6d00d5c5b
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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. #25
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2021-07-22 11:41:47 +02:00 |
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vijay gopal chilkuri
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fdb8f5d50a
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changed unsigned int to uint64_t for consistency. #25
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2021-07-22 09:59:02 +02:00 |
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vijay gopal chilkuri
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83dbab7f6b
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Try not to export org-mode lisp stuff. #25
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2021-07-21 17:56:04 +02:00 |
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vijay gopal chilkuri
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081e27dd92
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Bug fix in tests. #25
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2021-07-21 17:42:48 +02:00 |
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Francois Coppens
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11eee81f84
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- Added Woodbury 2x2 to org-mode file. QMCkl compiles but the testsuite fails with a segementation fault. #25
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2021-07-21 17:31:25 +02:00 |
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vijay gopal chilkuri
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04d2ec2d70
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Added an example usage of qmckl_sherman_morrison function as a test. #25
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2021-07-20 19:34:51 +02:00 |
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Francois Coppens
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7b2a8caeab
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- Added documentation to helper functions
- Removed redundant #include qmckl.h
- Commented out the #ifdef DEBUG ... #endif blocks
- Changed Sherman-Morrison break-down check to use qmckl_exit_code qmckl_sherman_morrison_threshold double* const thresh ). #25
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2021-07-20 12:09:43 +02:00 |
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Francois Coppens
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80c9a2291c
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Replaced <cmath> with <math.h> and std::fabs() with fabs() to be C-complient. #25
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2021-07-20 11:15:33 +02:00 |
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vijay gopal chilkuri
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dcb4816941
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Added threshold function. Tests still dont compile. #25
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2021-07-20 10:51:21 +02:00 |
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vijay gopal chilkuri
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6e047046f4
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Get the sherman morrison to compile. Tests still dont compile. #25
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2021-07-19 18:25:10 +02:00 |
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Francois Coppens
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7849f510f4
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Started integration of naive Sherman-Morrison in the org-mode file. #25
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2021-07-19 17:39:01 +02:00 |
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vijay gopal chilkuri
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4e31dc4ac4
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Added Tests block and set the noexport tags. #25
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2021-07-19 17:34:47 +05:30 |
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vijay gopal chilkuri
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897eb3f34e
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Added call to generate_f_interface in template. #25
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2021-07-19 17:31:34 +05:30 |
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vijay gopal chilkuri
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6c2866967d
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Added call to generate_c_interface in template. #25
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2021-07-19 17:31:11 +05:30 |
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vijay gopal chilkuri
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36e414aacd
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Added call to generate_c_header to template. #25
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2021-07-19 17:30:10 +05:30 |
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vijay gopal chilkuri
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b0fd86db40
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Added missing org file. #25
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2021-07-19 15:31:07 +05:30 |
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