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  • 5e18523274 Properly comment qmckl_probes verificarlo-ci-master Aurelien Delval 2021-08-26 09:50:05 +0000
  • 291ea5441d Correctly ignore asserts for vfc_ci Aurelien Delval 2021-08-24 19:16:49 +0000
  • 26ca2d3907 Modify behaviour of QMCkl probes when VFC_CI is disabled Aurelien Delval 2021-08-20 15:11:28 +0000
  • f59a6385ee Correctly wrap qmckl_dump_probes in preprocessor guard PurplePachyderm 2021-08-19 12:47:50 +0200
  • 978e20ac42 Removed local context var declarations from kernels and pass along context from passed arguments. #25 Francois Coppens 2021-07-30 11:48:08 +0200
  • fb3eeaaa5d Add pkg-config install in CI (should fix issues) Aurélien Delval 2021-07-30 11:10:16 +0200
  • a5e58c80d7 Passing argument context instead of creating and passing a locally created context. #25 Francois Coppens 2021-07-29 11:48:38 +0200
  • f43600f3d4 Merge branch 'master' of https://github.com/PurplePachyderm/qmckl Aurélien Delval 2021-07-27 15:56:47 +0200
  • eb8d75c247 Add accuracy target in distance and AO probes Aurélien Delval 2021-07-27 15:50:33 +0200
  • cb522f7e1d Added verificarlo based compilation info in TODO. #29 vijay gopal chilkuri 2021-07-27 12:34:50 +0200
  • b57ea3f1a6 Link libvfc_probes and libvfc_probes_f when CI support enabled verificarlo-ci-master-backup Aurélien Delval 2021-07-27 11:23:30 +0200
  • afc6e115d3 Resolved compiler warnings about initialising 'objects' with 'const objects'. #25 Francois Coppens 2021-07-27 08:48:28 +0200
  • 0e4ea1f81b Fixed tests. Everything compiles successfully and passes all tests. #25 Francois Coppens 2021-07-27 06:59:44 +0200
  • 41be86fe59 Removed dependency on qmckl_threshhold() and the accompanying preprocessor definition. The break-down threshold now has to be passed explicitly as a function argument. #25 Francois Coppens 2021-07-26 17:41:21 +0200
  • decd977fff Added mixed kernel with Woodbury 3x3 and update splitting. #25 Francois Coppens 2021-07-26 12:19:29 +0200
  • 361caba901
         Delete htmlize.el Aurélien Delval 2021-07-26 09:31:38 +0200
  • 4c554ce5e4
         Delete config.h.in~ Aurélien Delval 2021-07-26 09:31:06 +0200
  • 424afc4fc7 Create symbolic link to /usr/lib/python3 instead of alias Aurélien Delval 2021-07-26 08:26:15 +0200
  • f444dd7e75 Run apt upgrade in CI workflow before emacs install Aurélien Delval 2021-07-26 08:20:06 +0200
  • 9714ab095e Tentative to fix CI Aurélien Delval 2021-07-26 08:12:48 +0200
  • 820ed0ec34 [auto] Set up Verificarlo CI on this branch Aurélien Delval 2021-07-26 07:44:18 +0200
  • 66a35e2fc0 Fix Makefile.am and change probes name Aurélien Delval 2021-07-25 15:36:14 +0200
  • e443790806 Place/rename new probes in both distance and AO tests Aurélien Delval 2021-07-24 13:19:09 +0200
  • d2eb9f5a5d Added interfaces and fortran versions and fixed return for smw2s. #25 sherman-morrison-woodbury vijay gopal chilkuri 2021-07-23 19:58:24 +0200
  • 159fb149a4 Added Woobury 3x3, 2x2 and Sherman-Morrison-Splitting mixed kernels. Compiles fine but test still fail. #25 Francois Coppens 2021-07-23 16:50:51 +0200
  • ce24885979 Correct tests and put C(2,2) in distance probes Aurélien Delval 2021-07-23 15:19:12 +0200
  • 3f4ace0425
         Merge branch 'master' into sherman-morrison-woodbury vijay 2021-07-23 15:08:31 +0200
  • cbf1bd8de8 Fix replace error in AO Aurélien Delval 2021-07-23 12:28:27 +0200
  • b1699d58c9 Merge branch 'TREX-CoE-master' Aurélien Delval 2021-07-23 12:27:41 +0200
  • 68dc374422 Merge branch 'master' of https://github.com/TREX-CoE/qmckl into TREX-CoE-master Aurélien Delval 2021-07-23 12:27:18 +0200
  • 145f4fba40
         Add the qmckl_probes interface (#2) Aurélien Delval 2021-07-23 12:01:14 +0200
  • 0a9cc56b44 Deploying to gh-pages from @ TREX-CoE/qmckl@e5806e676b 🚀 pablooliveira 2021-07-23 07:03:32 +0000
  • e5806e676b
         Make sure qmckl.h can be imported from C++ (#26) Pablo de Oliveira Castro 2021-07-23 09:02:25 +0200
  • 90b6333560 Splitting tests bug fix. #25 vijay gopal chilkuri 2021-07-22 18:20:20 +0200
  • e1b325ab18 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 Francois Coppens 2021-07-22 18:05:39 +0200
  • c6d00d5c5b Added and tested Woodbury 3x3 kernel to QMCkl. Francois Coppens 2021-07-22 11:38:50 +0200
  • fdb8f5d50a changed unsigned int to uint64_t for consistency. #25 vijay gopal chilkuri 2021-07-22 09:59:02 +0200
  • 83dbab7f6b Try not to export org-mode lisp stuff. #25 vijay gopal chilkuri 2021-07-21 17:56:04 +0200
  • 081e27dd92 Bug fix in tests. #25 vijay gopal chilkuri 2021-07-21 17:42:48 +0200
  • 11eee81f84 - Added Woodbury 2x2 to org-mode file. QMCkl compiles but the testsuite fails with a segementation fault. #25 Francois Coppens 2021-07-21 17:30:12 +0200
  • 3ad664591f Make sure qmckl.h can be imported from C++ Pablo Oliveira 2021-07-21 13:55:14 +0200
  • 04d2ec2d70 Added an example usage of qmckl_sherman_morrison function as a test. #25 vijay gopal chilkuri 2021-07-20 19:34:51 +0200
  • 6b847d6dd3 Everything comipiles smoothly. Fixed link issue. #25 vijay gopal chilkuri 2021-07-20 16:58:38 +0200
  • 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 Francois Coppens 2021-07-20 12:09:43 +0200
  • f325f4feda - Replaced <cmath> with <math.h> and std::fabs() with fabs(). - Changed return values 'true' and 'false' to QMCKL_SUCCESS and QMCKL_FAILURE. - Commented out the '#ifdef DEBUG ... #endif' blocks because debug messages are not implemented yet. #25 Francois Coppens 2021-07-20 11:40:19 +0200
  • 80c9a2291c Replaced <cmath> with <math.h> and std::fabs() with fabs() to be C-complient. #25 Francois Coppens 2021-07-20 11:15:33 +0200
  • dcb4816941 Added threshold function. Tests still dont compile. #25 vijay gopal chilkuri 2021-07-20 10:51:21 +0200
  • 6e047046f4 Get the sherman morrison to compile. Tests still dont compile. #25 vijay gopal chilkuri 2021-07-19 18:25:10 +0200
  • dce8cad154 Modified autogen functions to incorporate unsigned. #25 vijay gopal chilkuri 2021-07-19 18:24:19 +0200
  • 7849f510f4 Started integration of naive Sherman-Morrison in the org-mode file. #25 Francois Coppens 2021-07-19 17:38:53 +0200
  • 81f5696950 Changed internal functions to static functions. Changed function names to conform with QMCkl naming conventions. Removed irrelevant debug output. qmckl_sherman_morrison() now returns false if the denominator is too close to 0 and true if it is ok. #25 Francois Coppens 2021-07-19 16:15:28 +0200
  • 4e31dc4ac4 Added Tests block and set the noexport tags. #25 vijay gopal chilkuri 2021-07-19 17:34:47 +0530
  • 897eb3f34e Added call to generate_f_interface in template. #25 vijay gopal chilkuri 2021-07-19 17:31:34 +0530
  • 6c2866967d Added call to generate_c_interface in template. #25 vijay gopal chilkuri 2021-07-19 17:31:11 +0530
  • 36e414aacd Added call to generate_c_header to template. #25 vijay gopal chilkuri 2021-07-19 17:30:10 +0530
  • b0fd86db40 Added missing org file. #25 vijay gopal chilkuri 2021-07-19 15:31:07 +0530
  • 269f8d33d2 Added template org file for Francois. #25 vijay gopal chilkuri 2021-07-19 15:29:32 +0530
  • f873b36213 First stage of QMCkl integration of Sherman-Morrison-Woodbury kernels. sherman-morrison-woodbury-fork Francois Coppens 2021-07-19 09:55:58 +0200
  • 3384e4146f Deploying to gh-pages from @ TREX-CoE/qmckl@c8cad59922 🚀 scemama 2021-07-19 07:27:31 +0000
  • c8cad59922 Added Fortran interfaces Anthony Scemama 2021-07-19 09:26:05 +0200
  • 80cb2b2d42 Deploying to gh-pages from @ TREX-CoE/qmckl@cdf92e2464 🚀 scemama 2021-07-13 07:56:01 +0000
  • cdf92e2464 Added AO_factor to AOs sherman-morrison-woodbury-master Anthony Scemama 2021-07-13 09:54:43 +0200
  • 1c162de62a Deploying to gh-pages from @ TREX-CoE/qmckl@75a93d12c6 🚀 scemama 2021-07-12 13:06:22 +0000
  • 75a93d12c6 Added AO polynomials Anthony Scemama 2021-07-11 23:20:40 +0200
  • 6ca43cf03a Deploying to gh-pages from @ TREX-CoE/qmckl@fba34e4982 🚀 scemama 2021-07-08 22:47:01 +0000
  • fba34e4982 Addd AO functions Anthony Scemama 2021-07-09 00:45:17 +0200
  • 41eab9c06b Deploying to gh-pages from @ TREX-CoE/qmckl@e8a5103c92 🚀 scemama 2021-07-08 17:26:33 +0000
  • e8a5103c92 Changed order of indices in AOs Anthony Scemama 2021-07-08 19:20:19 +0200
  • afae3ab9a5 Deploying to gh-pages from @ TREX-CoE/qmckl@e39a27db08 🚀 scemama 2021-07-08 06:58:56 +0000
  • e39a27db08
         Merge pull request #23 from v1j4y/jastrow_vj Anthony Scemama 2021-07-08 08:57:48 +0200
  • af978e1b03 Everything good. Ready for merge. #22 vijay gopal chilkuri 2021-07-08 12:22:28 +0530
  • 45bc54d0f9 Reinstated tests for een_rescaled_n. #22 vijay gopal chilkuri 2021-07-08 12:11:26 +0530
  • bcba93ee7e Reinstated tests for een_rescaled_e. #22 vijay gopal chilkuri 2021-07-08 12:09:22 +0530
  • c8aef0d9ac Reinstated tests for factor_en_deriv_e. #22 vijay gopal chilkuri 2021-07-08 12:07:13 +0530
  • 2cd5a31cba Fixed bug in type_nucl_vector dim. #22 vijay gopal chilkuri 2021-07-08 12:03:42 +0530
  • 672f0e771c Fixed bug in factor_en. #22 vijay gopal chilkuri 2021-07-08 11:58:46 +0530
  • be341f3afd Reinstated tests for factor_en. #22 vijay gopal chilkuri 2021-07-08 11:53:13 +0530
  • 0575638e5b Reinstate tests for factor_ee_deriv_e. #22 vijay gopal chilkuri 2021-07-08 11:49:52 +0530
  • 0342449621 Reinstate tests for factor_ee. #22 vijay gopal chilkuri 2021-07-08 11:41:32 +0530
  • 371b943aac Fixed some bugs in aord_vector dims. #22 vijay gopal chilkuri 2021-07-08 11:36:47 +0530
  • dcff0cf4b4 Fixed bug in bord_vector dimension. #22 vijay gopal chilkuri 2021-07-08 11:30:07 +0530
  • 1821089880 Testing IX. #22 vijay gopal chilkuri 2021-07-08 11:10:10 +0530
  • c838dabe3c Fix for type_nucl_vector. #22 vijay gopal chilkuri 2021-07-08 10:59:24 +0530
  • b1d63752fb Fixed some warnings. #22 vijay gopal chilkuri 2021-07-08 10:40:24 +0530
  • 751d918147 Fixed size_t to int64_t. #22 vijay gopal chilkuri 2021-07-08 10:28:15 +0530
  • cf9c3c0e3d
         Merge branch 'master' into jastrow_vj vijay 2021-07-08 10:10:13 +0530
  • 13103673ed Deploying to gh-pages from @ TREX-CoE/qmckl@704fddc7a5 🚀 scemama 2021-07-07 23:26:30 +0000
  • 704fddc7a5 Merge branch 'master' of github.com:TREX-CoE/qmckl Anthony Scemama 2021-07-08 01:25:17 +0200
  • 3ac753cc0a Debugging AOs Anthony Scemama 2021-07-08 01:25:09 +0200
  • b0770ff6c1 Deploying to gh-pages from @ TREX-CoE/qmckl@48855aa2ac 🚀 scemama 2021-07-07 17:10:39 +0000
  • 48855aa2ac Merge branch 'master' of github.com:TREX-CoE/qmckl Anthony Scemama 2021-07-07 19:09:18 +0200
  • 8710a14d5a Download test-suite.log as artifact Anthony Scemama 2021-07-07 19:09:03 +0200
  • 0383b29b88 Testing - VIII. #22 vijay gopal chilkuri 2021-07-07 22:09:08 +0530
  • a09c29eb64 Testing - VII. #22 vijay gopal chilkuri 2021-07-07 22:02:27 +0530
  • 0391efe5b8 Testing - VI. #22 vijay gopal chilkuri 2021-07-07 21:04:33 +0530
  • c4b60c25f6 Testing - V. #22 vijay gopal chilkuri 2021-07-07 20:55:46 +0530
  • e821fab575 Testing - IV. #22 vijay gopal chilkuri 2021-07-07 20:53:10 +0530
  • 49a3b3d414 Testing - III. #22 vijay gopal chilkuri 2021-07-07 20:48:49 +0530
  • 478ce7cc38 Testing - II. #22 vijay gopal chilkuri 2021-07-07 20:45:55 +0530
  • 22c8f01bab Testing. #22 vijay gopal chilkuri 2021-07-07 20:41:25 +0530