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f745899f3a
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Replaced iso_c_binding by qmckl_constants
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2024-02-23 12:06:13 +01:00 |
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0d9af3c497
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Cleaning Fortran
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2023-09-22 16:41:43 +02:00 |
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cbc8b9bd58
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Fixes in Fortran interface
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2023-09-11 17:05:41 +02:00 |
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Francois Coppens
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7c57fe2b6f
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Added fucntion that generates private fortran interfaces to C functions.
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2023-02-23 17:30:12 +01:00 |
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Francois Coppens
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216fcebf70
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Added fucntion that generates private c headers.
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2023-02-23 16:17:39 +01:00 |
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60ef0dc7a6
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Redesign walkers
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2022-08-07 15:28:00 +02:00 |
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e08456bd61
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Introduced write_provider org functions
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2022-07-09 13:11:20 +02:00 |
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53e2e7bb05
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All tests pass without trexio
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2022-01-06 02:28:13 +01:00 |
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5b6404db92
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Cleaned AO file
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2022-01-05 19:25:51 +01:00 |
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1be1a99529
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Documentation of Aos
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2022-01-05 15:56:25 +01:00 |
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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 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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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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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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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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