Commit Graph

Select branches

Hide Pull Requests

add-python-api

addman2-patch-1

fix-build

fix-memory-leaks

fix_build_install

gh-pages

gpu

master

qmckl_extra

sherman-morrison-woodbury

sherman-morrison-woodbury-fork

sherman-morrison-woodbury-master

verificarlo-ci-master

verificarlo-ci-master-backup

vfc_ci_master

work

#1

#100

#101

#102

#103

#104

#105

#106

#107

#108

#109

#11

#111

#112

#114

#114

#14

#16

#18

#2

#21

#23

#24

#26

#27

#3

#30

#31

#33

#34

#35

#36

#37

#4

#42

#43

#44

#45

#46

#47

#5

#50

#52

#53

#54

#55

#56

#57

#58

#59

#6

#61

#62

#63

#64

#66

#67

#68

#69

#7

#70

#72

#74

#75

#76

#77

#78

#78

#80

#81

#82

#83

#83

#85

#86

#88

#89

#9

#90

#93

#94

#96

#97

#98

#99

v0.1.1

v0.2.1

v0.3.1

v0.4.1

v0.5.1

v0.5.2

v0.5.3

v0.5.4

v1.0.0

Mono Color

• b5dde28f08
  Merge 2438df280f66bf7198664b60ba58e45f39425a92 into 641b8ea311a1a4f9eaf37841f3a19b9120f1f424 Anthony Scemama 2025-02-19 16:27:39 +00:00
• 2438df280f Introduced qmckl_compute_forces_jastrow_delta_p_hpc Anthony Scemama 2025-02-19 17:20:42 +01:00
• 2d2872dcef dgemmized qmckl_compute_forces_dtmp_c_hpc Anthony Scemama 2025-02-19 16:07:53 +01:00
• c04ce987d2 Introduced qmckl_compute_forces_jastrow_single_een_hpc Anthony Scemama 2025-02-19 15:07:51 +01:00
• ea28f4cadd try with quad Emiel Slootman 2025-02-17 09:56:27 +01:00
• 2f40ab7438 fix Emiel Slootman 2025-02-12 15:24:56 +01:00
• ca2be82107 ... Emiel Slootman 2025-02-12 14:49:55 +01:00
• cfc2b16db5 opt Emiel Slootman 2025-02-12 13:02:58 +01:00
• 040b7a3fe9 optimizations Emiel Slootman 2025-02-10 16:43:38 +01:00
• cf8eb9ffea Merge branch 'master' of https://github.com/EmielSlootman/qmckl Emiel Slootman 2025-02-07 09:30:20 +01:00
• 88e4a6b48c memory Emiel Slootman 2025-02-07 09:30:09 +01:00
• 2ec57f996a Try to solve qmckl_malloc Anthony Scemama 2025-02-05 18:25:52 +01:00
• 45efa5cb5e working for multiple walkers Emiel Slootman 2025-02-05 17:18:00 +01:00
• 51e41b2b3c optimizations Emiel Slootman 2025-02-05 12:44:32 +01:00
• 7b3a8fd558 small things Emiel Slootman 2025-02-03 16:00:01 +01:00
• 4b9e316253 fixes Emiel Slootman 2025-01-27 09:22:10 +01:00
• eef7fde6da all working Emiel Slootman 2025-01-24 16:57:47 +01:00
• e269729c47 working mo gradient forces Emiel Slootman 2025-01-23 13:08:05 +01:00
• 494c402cb4 3-body doc Emiel Slootman 2025-01-13 16:44:53 +01:00
• 4c50aec603 starting documentation Emiel Slootman 2025-01-13 13:41:06 +01:00
• bb7342a52e mo value force working Emiel Slootman 2025-01-06 15:25:47 +01:00
• 251e437f26 Merge branch 'master' of github.com:EmielSlootman/qmckl Anthony Scemama 2024-12-26 11:08:13 +01:00
• 538a929632 some conflicts later... Emiel Slootman 2024-12-23 23:57:27 +01:00
• 534d6fb5b9 [auto] New test results for commit 641b8ea vfc_ci_master GitHub Action 2024-12-20 14:13:33 +00:00
• 4684ff25b6 Deploying to gh-pages from @ TREX-CoE/qmckl@641b8ea311 🚀 gh-pages scemama 2024-12-20 14:06:58 +00:00
• 4cd0ac754a Merge branch 'orig' Anthony Scemama 2024-12-20 15:06:00 +01:00
• 641b8ea311 Fixed coord master Anthony Scemama 2024-12-20 15:05:48 +01:00
• 80f7044a42 Fixed tests Anthony Scemama 2024-12-20 15:05:17 +01:00
• ac5d5535e6 Fixed some tests in Jastrow-single Anthony Scemama 2024-12-20 14:44:38 +01:00
• 5fb5aa7d71 [auto] New test results for commit 8a80728 GitHub Action 2024-12-20 13:02:21 +00:00
• 12de50d2cf Merge branch 'orig' Anthony Scemama 2024-12-20 13:58:37 +01:00
• 83c14f8595 Deploying to gh-pages from @ TREX-CoE/qmckl@8a8072878a 🚀 scemama 2024-12-20 12:55:57 +00:00
• 8a8072878a All-electron Jastrow fixed Anthony Scemama 2024-12-20 13:54:46 +01:00
• 63d831ae04 Fixed elec_coord bugs Anthony Scemama 2024-12-20 13:25:40 +01:00
• 467411c230 optimizations Emiel Slootman 2024-12-18 00:32:21 +01:00
• 5270ee4f58 bug and expanded tests Emiel Slootman 2024-12-17 22:54:33 +01:00
• 4964221bad tests and fixes Emiel Slootman 2024-12-14 23:10:00 +01:00
• abb486f4ba Modified for multiple walkers Anthony Scemama 2024-12-14 22:39:18 +01:00
• 0f041bd42b Fixing single-e for multiple walkers Anthony Scemama 2024-12-14 22:28:09 +01:00
• e465c2c554 Merge branch 'master' of github.com:EmielSlootman/qmckl Anthony Scemama 2024-12-14 22:03:13 +01:00
• 063de427be Merge with origin Anthony Scemama 2024-12-14 22:03:02 +01:00
• 145d537c66 add accept move Emiel Slootman 2024-12-14 16:55:18 +01:00
• 4eb06e1a2e Merge with master Anthony Scemama 2024-12-14 16:53:24 +01:00
• 658a1bb01c [auto] New test results for commit e009322 GitHub Action 2024-12-14 15:52:13 +00:00
• 63bdd4072b Merge branch 'master' of github.com:EmielSlootman/qmckl Anthony Scemama 2024-12-14 16:51:50 +01:00
• 088d5f9290 Deploying to gh-pages from @ TREX-CoE/qmckl@e009322467 🚀 scemama 2024-12-14 15:47:06 +00:00
• e009322467 Threshold in tests Anthony Scemama 2024-12-14 16:45:53 +01:00
• 834bf5f17b [auto] New test results for commit a269d11 GitHub Action 2024-12-14 15:37:44 +00:00
• c199f6d8e0 Deploying to gh-pages from @ TREX-CoE/qmckl@a269d11264 🚀 scemama 2024-12-14 15:32:39 +00:00
• a269d11264 Minor changes Anthony Scemama 2024-12-14 16:31:28 +01:00
• 767fa9b1c6 [auto] New test results for commit d3ac2a0 GitHub Action 2024-12-14 14:40:05 +00:00
• d5f156b4e3 Deploying to gh-pages from @ TREX-CoE/qmckl@d3ac2a01e5 🚀 scemama 2024-12-14 14:34:46 +00:00
• d3ac2a01e5 Fixing HPC version of jast grad only Anthony Scemama 2024-12-14 15:33:34 +01:00
• 26f913518a Context is value Anthony Scemama 2024-12-14 15:23:05 +01:00
• 0ff1fd4181 [auto] New test results for commit 6ad40e0 GitHub Action 2024-12-14 13:56:43 +00:00
• a62c62fc69 Deploying to gh-pages from @ TREX-CoE/qmckl@6ad40e0cf2 🚀 scemama 2024-12-14 13:51:34 +00:00
• 6ad40e0cf2 Fixed HPC Anthony Scemama 2024-12-14 14:50:20 +01:00
• 96306ff7b8 fix bug in ee single Emiel Slootman 2024-12-14 13:09:48 +01:00
• c26fff4976 [auto] New test results for commit bae64e7 GitHub Action 2024-12-14 11:02:46 +00:00
• 5b9f0f7957 Deploying to gh-pages from @ TREX-CoE/qmckl@bae64e75ab 🚀 scemama 2024-12-14 10:57:32 +00:00
• bae64e75ab Introduced gradient only Anthony Scemama 2024-12-14 11:51:46 +01:00
• d04e08c097 Simplify Fortran Anthony Scemama 2024-12-14 11:01:55 +01:00
• 8cc92a0030 [auto] New test results for commit c8aca48 GitHub Action 2024-12-14 02:42:44 +00:00
• fcf8bcb3a8 Deploying to gh-pages from @ TREX-CoE/qmckl@c8aca483da 🚀 scemama 2024-12-14 02:37:35 +00:00
• dfa09dfe66 Updated tests Anthony Scemama 2024-12-14 02:14:32 +01:00
• 1e49a62fb3 Fixed -ftz Anthony Scemama 2024-12-14 02:12:57 +01:00
• 65ec189c42 Fixed make distcheck Anthony Scemama 2024-12-14 00:53:17 +01:00
• 0ff83a333f Disable doc in CI Anthony Scemama 2024-12-13 17:59:25 +01:00
• 05b5c2aaf2 Merge branch 'test_merge' Anthony Scemama 2024-12-14 01:33:21 +01:00
• 42ca1c05e5 Merge branch 'master' of github.com:EmielSlootman/qmckl into test_merge Anthony Scemama 2024-12-14 01:32:55 +01:00
• 841fe71a6f [auto] New test results for commit 63f4b9e GitHub Action 2024-12-14 00:31:59 +00:00
• 442618a793 Deploying to gh-pages from @ TREX-CoE/qmckl@63f4b9ed6b 🚀 scemama 2024-12-14 00:27:16 +00:00
• 63f4b9ed6b Fixed python Anthony Scemama 2024-12-14 01:25:44 +01:00
• d3a50f48fc [auto] New test results for commit d750c05 GitHub Action 2024-12-13 23:59:28 +00:00
• 9d7a60e495 Deploying to gh-pages from @ TREX-CoE/qmckl@d750c05cc7 🚀 scemama 2024-12-13 23:54:24 +00:00
• d750c05cc7 Fixed make distcheck Anthony Scemama 2024-12-14 00:53:17 +01:00
• 0bfa1a83cd [auto] New test results for commit 8086c20 GitHub Action 2024-12-13 23:39:48 +00:00
• e93cf9bae8 Deploying to gh-pages from @ TREX-CoE/qmckl@8086c2078e 🚀 scemama 2024-12-13 23:34:27 +00:00
• 8086c2078e Fixed HPC function Anthony Scemama 2024-12-14 00:33:18 +01:00
• bd5c0eb0e5 [auto] New test results for commit 243e937 GitHub Action 2024-12-13 17:13:44 +00:00
• c33b5ebc49 Deploying to gh-pages from @ TREX-CoE/qmckl@243e937356 🚀 scemama 2024-12-13 17:08:35 +00:00
• 243e937356 Fixed memset Anthony Scemama 2024-12-13 18:07:21 +01:00
• c8ff71cc2e [auto] New test results for commit b20373b GitHub Action 2024-12-13 17:02:22 +00:00
• 11f89e1d37 Disable doc in CI Anthony Scemama 2024-12-13 17:59:25 +01:00
• 7b3f46414b Deploying to gh-pages from @ TREX-CoE/qmckl@b20373b02d 🚀 scemama 2024-12-13 16:57:23 +00:00
• b20373b02d Lower tolerance doc vs hpc Anthony Scemama 2024-12-13 17:55:35 +01:00
• af13efdeb3 [auto] New test results for commit 2402b06 GitHub Action 2024-12-13 16:52:37 +00:00
• 146c945aa3 Deploying to gh-pages from @ TREX-CoE/qmckl@2402b064b2 🚀 scemama 2024-12-13 16:47:18 +00:00
• 2402b064b2 Fixed HPC Jastrow Anthony Scemama 2024-12-13 17:46:06 +01:00
• 5c83688afa [auto] New test results for commit fb86c01 GitHub Action 2024-12-13 15:50:26 +00:00
• 7f2b506c1e Deploying to gh-pages from @ TREX-CoE/qmckl@fb86c01008 🚀 scemama 2024-12-13 15:45:18 +00:00
• fb86c01008 Debugging CI Anthony Scemama 2024-12-13 16:44:02 +01:00
• 7ea3123ebe Flush Anthony Scemama 2024-12-13 16:41:51 +01:00
• e50a71b090 [auto] New test results for commit f72973b GitHub Action 2024-12-13 15:14:22 +00:00
• b5322dd796 Deploying to gh-pages from @ TREX-CoE/qmckl@f72973b32f 🚀 scemama 2024-12-13 15:09:19 +00:00
• f72973b32f Debugging CI Anthony Scemama 2024-12-13 16:08:03 +01:00
• 2ba7f1bf12 [auto] New test results for commit 73a1603 GitHub Action 2024-12-13 14:25:11 +00:00
• 1e49e4ef1e Deploying to gh-pages from @ TREX-CoE/qmckl@73a1603138 🚀 scemama 2024-12-13 14:20:11 +00:00
• 73a1603138 Debugging CI Anthony Scemama 2024-12-13 15:18:45 +01:00
• 5a0a51d0ef [auto] New test results for commit 29877ee GitHub Action 2024-12-13 14:16:06 +00:00