vijay
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9b5c14b284
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Merge branch 'master' into jastrow_vj
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2021-07-05 18:34:38 +05:30 |
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04ed140e85
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Added missing Fortran interfaces
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2021-06-27 15:48:46 +02:00 |
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f005f587e7
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Error in FOrtran interface fixed
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2021-06-25 17:37:45 +02:00 |
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vijay gopal chilkuri
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7bac20bfae
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Check if electron is provided in provide shell vgl.
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2021-06-25 07:48:54 +05:30 |
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bd86faf1a6
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Merge branch 'master' of github.com:TREX-CoE/qmckl
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2021-06-24 00:18:24 +02:00 |
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616815b9b4
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comment
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2021-06-24 00:18:19 +02:00 |
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2627368c54
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Added Fortran interfaces
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2021-06-23 23:58:28 +02:00 |
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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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0db9c6009d
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Ideas for improvement
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2021-06-14 12:53:38 +02:00 |
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4bcb9b980c
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Implemented AO primitives
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2021-06-10 23:54:39 +02:00 |
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4ae5517641
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Working on AOs
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2021-06-10 00:10:19 +02:00 |
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8090edc771
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Fix AO tests
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2021-06-03 22:34:23 +02:00 |
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58cd3f009d
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Added test data for ch3clbrf
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2021-06-03 18:26:00 +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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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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c61556ef77
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Working on automake
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2021-05-11 11:45:49 +02:00 |
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