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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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
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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
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2021-06-03 01:32:50 +02:00 |
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vijay gopal chilkuri
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9479ec51ff
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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
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Fix dist
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2021-05-12 23:18:22 +02:00 |
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0ae0f68d01
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Python script to build makefiles
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2021-05-12 23:16:09 +02:00 |
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b437cb5ce9
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Fix CI
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2021-05-12 02:41:29 +02:00 |
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d22ab667fd
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Fix CI
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2021-05-12 02:33:47 +02:00 |
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95b9d77e84
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Workflows
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2021-05-12 02:16:45 +02:00 |
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5c40916bf3
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Fixed module depend
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2021-05-12 01:51:26 +02:00 |
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4adcfa1df4
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Complete build OK
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2021-05-12 00:22:51 +02:00 |
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0ee57d06e0
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Working on documentation
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2021-05-11 17:03:13 +02:00 |
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ee9e3c5b55
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Removed need for munit
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2021-05-11 16:47:22 +02:00 |
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d4711206f0
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Introduced qmckl.h in org files
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2021-05-11 13:57:23 +02:00 |
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a4e49f4939
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Added tests
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2021-05-11 12:56:41 +02:00 |
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90474fee2d
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parallel tangle OK
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2021-05-11 12:34:12 +02:00 |
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c61556ef77
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Working on automake
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2021-05-11 11:45:49 +02:00 |
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18ef3a02b8
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Automake working
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2021-05-10 23:56:26 +02:00 |
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8b9b671c84
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Improve build system
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2021-05-10 10:05:50 +02:00 |
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66d606ff1e
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-DHAVE_CONFIG_H
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2021-05-09 02:12:38 +02:00 |
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e2ee986032
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Added VPATH
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2021-05-09 01:27:07 +02:00 |
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2bb844dd59
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Added configure scripts
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2021-05-07 12:47:56 +02:00 |
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0dffa4ce4c
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Cleaned Makefile
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2021-05-04 17:10:20 +02:00 |
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c2d02f755b
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Added DESTDIR in Makefile
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2021-04-30 01:55:50 +02:00 |
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58f4113a99
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Added missing css file
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2021-04-30 01:34:10 +02:00 |
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e2e46d0714
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Moved documentation in share/doc
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2021-04-30 01:26:19 +02:00 |
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56ba68b7f8
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Fixed text in org file
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2021-04-21 13:26:11 +02:00 |
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8882b4b3d4
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Fix htmlize
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2021-04-21 13:17:33 +02:00 |
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399a632bdd
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Add doc in dist, and text doc
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2021-04-21 12:44:03 +02:00 |
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e18655b147
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Added qmckl_electron
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2021-04-21 01:56:47 +02:00 |
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3618cde7b1
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Cleaned Makefiles
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2021-04-20 18:33:36 +02:00 |
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5c285dcdb6
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Fixed distances
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2021-04-17 12:35:52 +02:00 |
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33f33fcdf3
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Auto-generate interfaces
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2021-04-16 01:09:41 +02:00 |
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ff8330f8f9
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Include lib.org
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2021-04-09 11:26:04 +02:00 |
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fac7e9d74f
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Easier context
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2021-03-30 14:51:23 +02:00 |
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271c4cfe84
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Nicer bash script
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2021-03-23 22:23:49 +01:00 |
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27b9fdab22
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Fixed Makefile
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2021-03-20 16:58:48 +01:00 |
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be44127dba
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Included auto-generation of Fortran in distances
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2021-03-20 16:56:22 +01:00 |
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87ad36e342
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Fixing CI
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2021-03-19 13:47:50 +01:00 |
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1af0bf053f
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Memory checking
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2021-03-18 18:02:34 +01:00 |
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4bf71426e4
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Rewrote context
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2021-03-10 12:58:38 +01:00 |
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