vijay gopal chilkuri
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c8aef0d9ac
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Reinstated tests for factor_en_deriv_e. #22
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2021-07-08 12:07:13 +05:30 |
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vijay gopal chilkuri
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2cd5a31cba
|
Fixed bug in type_nucl_vector dim. #22
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2021-07-08 12:03:42 +05:30 |
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vijay gopal chilkuri
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672f0e771c
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Fixed bug in factor_en. #22
|
2021-07-08 11:58:46 +05:30 |
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vijay gopal chilkuri
|
be341f3afd
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Reinstated tests for factor_en. #22
|
2021-07-08 11:53:13 +05:30 |
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vijay gopal chilkuri
|
0575638e5b
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Reinstate tests for factor_ee_deriv_e. #22
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2021-07-08 11:49:52 +05:30 |
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vijay gopal chilkuri
|
0342449621
|
Reinstate tests for factor_ee. #22
|
2021-07-08 11:41:32 +05:30 |
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vijay gopal chilkuri
|
371b943aac
|
Fixed some bugs in aord_vector dims. #22
|
2021-07-08 11:36:47 +05:30 |
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vijay gopal chilkuri
|
dcff0cf4b4
|
Fixed bug in bord_vector dimension. #22
|
2021-07-08 11:30:07 +05:30 |
|
vijay gopal chilkuri
|
1821089880
|
Testing IX. #22
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2021-07-08 11:10:10 +05:30 |
|
vijay gopal chilkuri
|
c838dabe3c
|
Fix for type_nucl_vector. #22
|
2021-07-08 10:59:24 +05:30 |
|
vijay gopal chilkuri
|
b1d63752fb
|
Fixed some warnings. #22
|
2021-07-08 10:40:24 +05:30 |
|
vijay gopal chilkuri
|
751d918147
|
Fixed size_t to int64_t. #22
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2021-07-08 10:28:15 +05:30 |
|
vijay
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cf9c3c0e3d
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Merge branch 'master' into jastrow_vj
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2021-07-08 10:10:13 +05:30 |
|
|
704fddc7a5
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Merge branch 'master' of github.com:TREX-CoE/qmckl
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2021-07-08 01:25:17 +02:00 |
|
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3ac753cc0a
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Debugging AOs
|
2021-07-08 01:25:09 +02:00 |
|
|
48855aa2ac
|
Merge branch 'master' of github.com:TREX-CoE/qmckl
|
2021-07-07 19:09:18 +02:00 |
|
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8710a14d5a
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Download test-suite.log as artifact
|
2021-07-07 19:09:03 +02:00 |
|
vijay gopal chilkuri
|
0383b29b88
|
Testing - VIII. #22
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2021-07-07 22:09:08 +05:30 |
|
vijay gopal chilkuri
|
a09c29eb64
|
Testing - VII. #22
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2021-07-07 22:02:27 +05:30 |
|
vijay gopal chilkuri
|
0391efe5b8
|
Testing - VI. #22
|
2021-07-07 21:04:33 +05:30 |
|
vijay gopal chilkuri
|
c4b60c25f6
|
Testing - V. #22
|
2021-07-07 20:55:46 +05:30 |
|
vijay gopal chilkuri
|
e821fab575
|
Testing - IV. #22
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2021-07-07 20:53:10 +05:30 |
|
vijay gopal chilkuri
|
49a3b3d414
|
Testing - III. #22
|
2021-07-07 20:48:49 +05:30 |
|
vijay gopal chilkuri
|
478ce7cc38
|
Testing - II. #22
|
2021-07-07 20:45:55 +05:30 |
|
vijay gopal chilkuri
|
22c8f01bab
|
Testing. #22
|
2021-07-07 20:41:25 +05:30 |
|
vijay gopal chilkuri
|
dce0d9373e
|
Part 1 test. #22
|
2021-07-07 20:30:19 +05:30 |
|
vijay gopal chilkuri
|
acf2dc217e
|
Checking tests. #22
|
2021-07-07 20:22:51 +05:30 |
|
vijay gopal chilkuri
|
1fb5615035
|
Commented some tests. #22
|
2021-07-07 20:17:45 +05:30 |
|
vijay gopal chilkuri
|
21937c1e36
|
Activated all tests. #22
|
2021-07-07 19:56:58 +05:30 |
|
vijay gopal chilkuri
|
9d46ed28c5
|
Activated tests 1. #22
|
2021-07-07 19:46:18 +05:30 |
|
vijay gopal chilkuri
|
48436607d6
|
Activated header. #22
|
2021-07-07 19:42:07 +05:30 |
|
vijay gopal chilkuri
|
852e12ce91
|
Fixed names of argument lists. #22
|
2021-07-07 19:37:58 +05:30 |
|
vijay gopal chilkuri
|
56eae6d0ea
|
Fix for kind in call to iand. #22
|
2021-07-07 19:22:15 +05:30 |
|
vijay gopal chilkuri
|
b4c7a8b0ac
|
Removed jastrow tests for debugging github ci. #22
|
2021-07-07 19:18:11 +05:30 |
|
vijay gopal chilkuri
|
1b74243155
|
Done with factor_een_deriv_e. Needs testing. #22
|
2021-07-07 18:08:56 +05:30 |
|
vijay gopal chilkuri
|
9b697278d7
|
Added derivatives of rescale_een_e and rescale_een_n. #22
|
2021-07-07 17:49:03 +05:30 |
|
vijay gopal chilkuri
|
55ac5b3787
|
Added factor_een. #22
|
2021-07-07 14:06:18 +05:30 |
|
vijay gopal chilkuri
|
e0a291d4a7
|
Finalizing things before factor_een. #22
|
2021-07-07 13:40:28 +05:30 |
|
vijay gopal chilkuri
|
b6bb9be359
|
Finished een_rescale_n. #22
|
2021-07-07 12:40:23 +05:30 |
|
vijay gopal chilkuri
|
a7c1fe526e
|
Working on factor_een. #22
|
2021-07-07 11:23:04 +05:30 |
|
vijay gopal chilkuri
|
2af6e36252
|
Reinstated all tests. #22
|
2021-07-06 21:29:42 +05:30 |
|
vijay gopal chilkuri
|
2055cc59be
|
Reinstated some tests. #22
|
2021-07-06 21:24:44 +05:30 |
|
vijay gopal chilkuri
|
dfd1b01cbd
|
Testing include of n2 file. #22
|
2021-07-06 20:58:11 +05:30 |
|
vijay gopal chilkuri
|
5d17992339
|
Removed n2 header from jastrow tests. #22
|
2021-07-06 20:55:15 +05:30 |
|
vijay gopal chilkuri
|
0151c441bc
|
Removed n2.h file. #22
|
2021-07-06 20:46:47 +05:30 |
|
vijay gopal chilkuri
|
a94c6a598a
|
Fixed issue with tests header. Reinstated Jastrow tests. #22
|
2021-07-06 20:37:08 +05:30 |
|
vijay gopal chilkuri
|
9b55720fa0
|
Removed jastrow tests for checking github ci. #22
|
2021-07-06 20:05:03 +05:30 |
|
vijay gopal chilkuri
|
4c20982d6f
|
Fixed memory lead in malloc caught by valgrind. #22
|
2021-07-06 19:49:22 +05:30 |
|
vijay gopal chilkuri
|
9df44ee026
|
Finished factor_en_deriv_e. #22
|
2021-07-06 18:57:14 +05:30 |
|
vijay gopal chilkuri
|
b0f4069c5b
|
Removed asserts for checking github build. #22
|
2021-07-06 17:13:39 +05:30 |
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