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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-11-19 20:42:50 +01:00
Commit Graph

12 Commits

Author SHA1 Message Date
Francois Coppens
11eee81f84 - Added Woodbury 2x2 to org-mode file. QMCkl compiles but the testsuite fails with a segementation fault. #25 2021-07-21 17:31:25 +02:00
vijay gopal chilkuri
04d2ec2d70 Added an example usage of qmckl_sherman_morrison function as a test. #25 2021-07-20 19:34:51 +02:00
Francois Coppens
7b2a8caeab - 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
2021-07-20 12:09:43 +02:00
Francois Coppens
80c9a2291c Replaced <cmath> with <math.h> and std::fabs() with fabs() to be C-complient. #25 2021-07-20 11:15:33 +02:00
vijay gopal chilkuri
dcb4816941 Added threshold function. Tests still dont compile. #25 2021-07-20 10:51:21 +02:00
vijay gopal chilkuri
6e047046f4 Get the sherman morrison to compile. Tests still dont compile. #25 2021-07-19 18:25:10 +02:00
Francois Coppens
7849f510f4 Started integration of naive Sherman-Morrison in the org-mode file. #25 2021-07-19 17:39:01 +02:00
vijay gopal chilkuri
4e31dc4ac4 Added Tests block and set the noexport tags. #25 2021-07-19 17:34:47 +05:30
vijay gopal chilkuri
897eb3f34e Added call to generate_f_interface in template. #25 2021-07-19 17:31:34 +05:30
vijay gopal chilkuri
6c2866967d Added call to generate_c_interface in template. #25 2021-07-19 17:31:11 +05:30
vijay gopal chilkuri
36e414aacd Added call to generate_c_header to template. #25 2021-07-19 17:30:10 +05:30
vijay gopal chilkuri
b0fd86db40 Added missing org file. #25 2021-07-19 15:31:07 +05:30