.. |
BTO.DDB
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Add projected Wannier function method for Lattice Wannier function.
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2022-04-21 09:22:59 +02:00 |
mgb2.ucell
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Add mgb2.ucell
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2020-03-30 13:26:44 +02:00 |
si_with_quad_block_not_at_the_end_DDB
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Fix possible error if DDB contains a LONGWAVE block that is not located at the end
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2021-10-15 23:55:31 +02:00 |
t01.abi
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wfk_tofullbz --> wfk_to_bz + code cleanup in m_mlwfovl
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2024-07-08 12:15:43 +02:00 |
t02.abi
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Implement chksymtnons=3, where the FFT grid and spatial symmetry operations are coherent with each others.
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2022-01-19 21:36:04 +01:00 |
t03.abi
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Implement chksymtnons=3, where the FFT grid and spatial symmetry operations are coherent with each others.
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2022-01-19 21:36:04 +01:00 |
t04.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t04.outdata_DS1_GSR.nc
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Mention structure variable in release notes
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2020-03-05 00:27:56 +01:00 |
t04.outdata_DS1_HIST.nc
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Mention structure variable in release notes
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2020-03-05 00:27:56 +01:00 |
t04_POSCAR
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Fix for py2 (when do we drop support for py2k?)
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2020-02-28 02:03:20 +01:00 |
t04_cart_POSCAR
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Fix bug when reading POSCAR files with Cartesian coords (conversion to Bohr was missing)
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2020-10-27 00:26:10 +01:00 |
t05.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t06.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t07.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t08.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t09.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t10.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t11.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t12.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t13.abi
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All v9 #13,14,93,94 have been tuned. kptopt 4 does not seem to work for 14 and 94 ?!
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2022-04-06 21:49:17 +02:00 |
t14.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t19.abi
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Modifications in order to pass on alps_intel_2025_elpa. Tuning of tolerances, but also this worker is excluded for 19 tests related to cprj, and 1 test related to GWR (paral_78)
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2025-02-16 18:41:25 +01:00 |
t22.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t29.abi
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Continue to stabilize on nvhpc 23.9
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2023-11-06 00:57:08 +01:00 |
t30.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t31.abi
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Adjust tol for v9 31
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2024-09-15 15:10:41 +02:00 |
t32.abi
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Version for buildbot
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2022-10-22 18:22:58 +02:00 |
t33.abi
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typos in previous commit
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2021-02-17 13:05:43 +01:00 |
t34.abi
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Updated names for gw1rdm tests
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2020-12-10 09:40:07 +01:00 |
t35.abi
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Updated names for gw1rdm tests
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2020-12-10 09:40:07 +01:00 |
t36.abi
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Updated names for gw1rdm tests
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2020-12-10 09:40:07 +01:00 |
t37.abi
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Print right sum of occs and updated test
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2021-06-12 17:37:46 +02:00 |
t40.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t41.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t42.abi
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Updated all(?) input and reference files for change of default for rfatpol .
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2022-05-19 10:48:59 +02:00 |
t43.abi
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Squashed commit of the following:
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2020-12-09 18:50:27 +01:00 |
t43.ddb
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change tol in call to symanalwq
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2020-10-21 10:47:13 +02:00 |
t44.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t46.abi
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Update files for v9 longwave tests
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2022-08-03 12:25:16 +02:00 |
t47.abi
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Create release notes for v9.6 . Also made minor fixes. Also mv test v9 13 and 14 to 47 and 48, and 100 to 49.
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2021-09-22 06:40:32 +02:00 |
t48.abi
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Create release notes for v9.6 . Also made minor fixes. Also mv test v9 13 and 14 to 47 and 48, and 100 to 49.
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2021-09-22 06:40:32 +02:00 |
t49.abi
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Create release notes for v9.6 . Also made minor fixes. Also mv test v9 13 and 14 to 47 and 48, and 100 to 49.
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2021-09-22 06:40:32 +02:00 |
t50.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t51.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t52.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t53.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t54.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t55.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t56.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t57.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t58.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t59.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t60.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t61.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t62.abi
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Remove duplicated exclude_builders
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2024-08-05 16:36:10 +02:00 |
t63.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t64.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t65.abi
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exclude_builders
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2024-08-05 16:02:36 +02:00 |
t66.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t67.abi
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Add test for UPF2 pseudos (scalar version)
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2023-01-07 16:43:58 +01:00 |
t71.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t72.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t73.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t74.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t75.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t76.abi
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Modify fld_options for v9 # 76 and 78
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2023-04-30 20:34:22 +02:00 |
t77.abi
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Add fixed number of iterations for tests t76-t79.
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2023-01-17 09:49:26 +01:00 |
t78.abi
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Modify fld_options for v9 # 76 and 78
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2023-04-30 20:34:22 +02:00 |
t79.abi
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Fix inconsistent spinat and nsppol in more than 20 test files
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2024-11-06 12:09:18 +01:00 |
t81.abi
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update variable documentation for Multibinit files, and debug related tests
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2022-06-15 10:17:10 +02:00 |
t81.xml
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add autotest v9/81:set spin initial state, v9/82: spin damping and switch off unimplemented variables
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2020-03-02 08:31:57 +01:00 |
t82.abi
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update variable documentation for Multibinit files, and debug related tests
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2022-06-15 10:17:10 +02:00 |
t83.abi
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Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1)
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2024-11-08 21:01:42 +01:00 |
t83.nc
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add autotest v9_84 berendsen NVT,85 Velocity Verlet NVE for lattice mover in multibinit
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2020-03-03 11:30:13 +01:00 |
t84.abi
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Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1)
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2024-11-08 21:01:42 +01:00 |
t85.abi
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Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1)
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2024-11-08 21:01:42 +01:00 |
t86.abi
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Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1)
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2024-11-08 21:01:42 +01:00 |
t87.abi
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Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1)
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2024-11-08 21:01:42 +01:00 |
t88.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t89.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t90.abi
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Fix the documentation. Also replaces "pdir" bu "periodic_dir" in m_gtermcutoff.F90
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2023-03-03 09:20:10 +01:00 |
t91.abi
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Standardize the use of nqfd instead of nqFD, and echo it, instead of he_qFD and nh_qFD
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2021-02-20 14:46:02 +01:00 |
t92.abi
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update test
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2024-05-02 01:59:02 +02:00 |
t93.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t94.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t95.abi
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correct topics abirefdebug was not happy
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2023-12-24 12:07:17 +01:00 |
t100.abi
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Update tests Refs
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2022-07-05 12:02:25 +02:00 |
t101.abi
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Slight adjustement of test v9#101 tolerances
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2022-04-22 07:53:01 +02:00 |
t102.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t103.abi
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Add news teests for optics + SOC
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2022-04-21 13:49:36 +02:00 |
t104.abi
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modified documentation and added tests for optcell 4,5,6 modification
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2022-06-12 15:51:22 +02:00 |
t105.abi
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Merge release-9.10 in merge-9.10 (lmacenul contrib)
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2024-02-18 17:56:51 +01:00 |
t106.abi
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Numerical tuning of tests
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2023-02-07 17:28:04 +00:00 |
t107.abi
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Numerical tuning of tests
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2023-02-07 17:28:04 +00:00 |
t108.abi
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Create a new topic AtomCentered. Also clean the release notes (GWR not in production).
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2023-06-14 16:58:38 +02:00 |
t109.abi
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Conflic with trunk solved
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2023-04-25 10:34:36 +02:00 |
t110.abi
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adjusting tests tutorial[tlwf_1], v9[t110], v9[t111]
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2022-05-03 09:36:25 +02:00 |
t111.abi
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adjusting tests tutorial[tlwf_1], v9[t110], v9[t111]
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2022-05-03 09:36:25 +02:00 |
t112.abi
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Exclude several tests "passed" (instead of "succeeded" from EOZ
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2024-09-16 08:22:07 +02:00 |
t120.abi
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Add test for UPF2 pseudos (scalar version)
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2023-01-07 16:43:58 +01:00 |
t122.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t130.abi
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Tune the tests for aI0 , especially need to adjust fld_option for v9#130
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2025-02-16 06:54:35 +01:00 |
t131.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t132.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t140.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t141.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t142.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t143.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t144.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t145.abi
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added MINIMAL tags to tests for the mini suite for make check
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2024-07-03 17:41:50 -04:00 |
t146.abi
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Remove toldfe from t146.abi and t147.abi
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2023-04-03 10:10:43 +02:00 |
t147.abi
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Remove toldfe from t146.abi and t147.abi
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2023-04-03 10:10:43 +02:00 |
t148.abi
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Adjust some tolerances for eos
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2023-09-10 18:08:47 +02:00 |
t150.abi
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resolve conflicts
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2023-05-17 10:36:43 +02:00 |
t160.abi
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Overhaul of ddb and ddb_hdr types
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2023-06-28 23:50:57 -04:00 |
t161.abi
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Overhaul of ddb and ddb_hdr types
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2023-06-28 23:50:57 -04:00 |
t180.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t180_POSCAR_mp-10173
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t181.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t181_POSCAR_mp-11213
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t183.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t183_POSCAR_mp-1003856
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t184.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t184_POSCAR_mp-1174567
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t185.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t185_POSCAR_mp-1055932
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t186.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t186_POSCAR_mp-1097860
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t187.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t187_POSCAR_mp-1193887
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t188.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t188_POSCAR_mp-1205582
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t189.abi
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Initialize tests/v10
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2024-03-22 05:55:22 +01:00 |
t190.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t191.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t192.abi
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Clean the *abi files, removed the exclude_hosts that were not active anymore. Also, upgrade the file KNOWN_PROBLEMS with the list of problematic tests for each builders. Finally, also mention the compiler nvhpc.
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2024-03-15 10:23:17 +01:00 |
t193.abi
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Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory.
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2024-11-20 18:54:40 +01:00 |
t195.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t195_POSCAR_mp-1222593
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t196.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t196_POSCAR_mp-1218490
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t197.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t197_POSCAR_mp-1193887
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t198.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t198_POSCAR_mp-505562
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t199.abi
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t199_POSCAR_mp-1246974
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
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2023-07-17 11:16:18 +02:00 |
t200.abi
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Correct tolwfr_diago and test it in t202
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2023-10-17 15:35:43 +02:00 |
t201.abi
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Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1.
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2024-11-15 13:59:20 +01:00 |
t202.abi
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Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1.
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2024-11-15 13:59:20 +01:00 |
t205.abi
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Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1.
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2024-11-15 13:59:20 +01:00 |
t206.abi
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Merge baguetl/fix-fft-goedecker-openmp into _baguetl-2.4
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2024-11-27 08:27:30 +01:00 |
t207.abi
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Merge baguetl/fix-fft-goedecker-openmp into _baguetl-2.4
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2024-11-27 08:27:30 +01:00 |