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6afb78429a
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Added new test
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2021-10-13 10:10:09 +02:00 |
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71ad7abb7f
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Fixed #40
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2021-10-06 10:35:43 +02:00 |
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vijay
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61751c307f
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Merge branch 'master' into ao_mo_vj
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2021-09-15 11:21:21 +02:00 |
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v1j4y
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eeaee39acd
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Removed RETURN blocks from lib to avoid dead code.
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2021-09-14 12:05:10 +02:00 |
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v1j4y
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ec9d5d23a2
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Bug fix for get_value lisp function.
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2021-09-14 09:56:31 +02:00 |
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v1j4y
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a41c67b94f
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Working on qmckl_dgemm.
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2021-09-07 16:36:26 +02:00 |
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vijay
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3f4ace0425
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Merge branch 'master' into sherman-morrison-woodbury
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2021-07-23 15:08:31 +02:00 |
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Pablo de Oliveira Castro
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e5806e676b
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Make sure qmckl.h can be imported from C++ (#26)
When qmckl.h is included in a C++ file wrap the definitions in
an extern "C" block to avoid mangling.
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2021-07-23 09:02:25 +02:00 |
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vijay gopal chilkuri
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dce8cad154
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Modified autogen functions to incorporate unsigned. #25
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2021-07-19 18:24:19 +02:00 |
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75a93d12c6
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Added AO polynomials
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2021-07-12 15:04:21 +02:00 |
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vijay gopal chilkuri
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0df816c0ba
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Finished ee_deriv_e. #20
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2021-07-06 12:57:14 +05:30 |
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vijay gopal chilkuri
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ad824d0f71
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Renamed test file to n2 and fixed a few bugs. #162
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2021-07-05 14:37:09 +05:30 |
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vijay gopal chilkuri
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25b30382dc
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Modified library function. #20
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2021-06-23 15:08:38 +05:30 |
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6b2c188475
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Computation of shells
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2021-06-22 23:33:09 +02:00 |
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eb09d47bc0
|
Fixing Actions
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2021-06-03 01:50:51 +02:00 |
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36293d892e
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Clean configure
|
2021-06-03 01:32:50 +02:00 |
|
vijay gopal chilkuri
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9479ec51ff
|
Fixed typo in qmckl.org and added a rule to use Python3 in init.el. #15
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2021-05-25 13:07:24 +05:30 |
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60875bf3fa
|
Fix dist
|
2021-05-12 23:18:22 +02:00 |
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0ae0f68d01
|
Python script to build makefiles
|
2021-05-12 23:16:09 +02:00 |
|
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b437cb5ce9
|
Fix CI
|
2021-05-12 02:41:29 +02:00 |
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|
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d22ab667fd
|
Fix CI
|
2021-05-12 02:33:47 +02:00 |
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95b9d77e84
|
Workflows
|
2021-05-12 02:16:45 +02:00 |
|
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5c40916bf3
|
Fixed module depend
|
2021-05-12 01:51:26 +02:00 |
|
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4adcfa1df4
|
Complete build OK
|
2021-05-12 00:22:51 +02:00 |
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0ee57d06e0
|
Working on documentation
|
2021-05-11 17:03:13 +02:00 |
|
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ee9e3c5b55
|
Removed need for munit
|
2021-05-11 16:47:22 +02:00 |
|
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d4711206f0
|
Introduced qmckl.h in org files
|
2021-05-11 13:57:23 +02:00 |
|
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a4e49f4939
|
Added tests
|
2021-05-11 12:56:41 +02:00 |
|
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90474fee2d
|
parallel tangle OK
|
2021-05-11 12:34:12 +02:00 |
|
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c61556ef77
|
Working on automake
|
2021-05-11 11:45:49 +02:00 |
|
|
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18ef3a02b8
|
Automake working
|
2021-05-10 23:56:26 +02:00 |
|
|
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8b9b671c84
|
Improve build system
|
2021-05-10 10:05:50 +02:00 |
|
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66d606ff1e
|
-DHAVE_CONFIG_H
|
2021-05-09 02:12:38 +02:00 |
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e2ee986032
|
Added VPATH
|
2021-05-09 01:27:07 +02:00 |
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2bb844dd59
|
Added configure scripts
|
2021-05-07 12:47:56 +02:00 |
|
|
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0dffa4ce4c
|
Cleaned Makefile
|
2021-05-04 17:10:20 +02:00 |
|
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c2d02f755b
|
Added DESTDIR in Makefile
|
2021-04-30 01:55:50 +02:00 |
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58f4113a99
|
Added missing css file
|
2021-04-30 01:34:10 +02:00 |
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e2e46d0714
|
Moved documentation in share/doc
|
2021-04-30 01:26:19 +02:00 |
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56ba68b7f8
|
Fixed text in org file
|
2021-04-21 13:26:11 +02:00 |
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8882b4b3d4
|
Fix htmlize
|
2021-04-21 13:17:33 +02:00 |
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399a632bdd
|
Add doc in dist, and text doc
|
2021-04-21 12:44:03 +02:00 |
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e18655b147
|
Added qmckl_electron
|
2021-04-21 01:56:47 +02:00 |
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3618cde7b1
|
Cleaned Makefiles
|
2021-04-20 18:33:36 +02:00 |
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5c285dcdb6
|
Fixed distances
|
2021-04-17 12:35:52 +02:00 |
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33f33fcdf3
|
Auto-generate interfaces
|
2021-04-16 01:09:41 +02:00 |
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ff8330f8f9
|
Include lib.org
|
2021-04-09 11:26:04 +02:00 |
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fac7e9d74f
|
Easier context
|
2021-03-30 14:51:23 +02:00 |
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271c4cfe84
|
Nicer bash script
|
2021-03-23 22:23:49 +01:00 |
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27b9fdab22
|
Fixed Makefile
|
2021-03-20 16:58:48 +01:00 |
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