| .. |
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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 |
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ddbSTO.DDB
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Implementation of inhomogeneous electric fields in time and space in Multibinit. The implementation has already been tested and has produced good results published on arXiv:2501.17057 and arXiv:2411.16395. Author: Fernando Gomez-Ortiz.
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2025-03-21 14:30:01 +01:00 |
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mgb2.ucell
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Add mgb2.ucell
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2020-03-30 13:26:44 +02:00 |
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modelSTO.xml
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Implementation of inhomogeneous electric fields in time and space in Multibinit. The implementation has already been tested and has produced good results published on arXiv:2501.17057 and arXiv:2411.16395. Author: Fernando Gomez-Ortiz.
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2025-03-21 14:30:01 +01:00 |
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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 |
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t01.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t02.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t03.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t04.abi
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test improvement
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2024-11-16 13:29:26 +01:00 |
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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 |
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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 |
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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 |
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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 |
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t05.abi
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Add prtevk in some files (to print EVK.nc file)
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2025-03-31 18:01:54 +02:00 |
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t06.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t07.abi
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Add prtevk in some files (to print EVK.nc file)
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2025-03-31 18:01:54 +02:00 |
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t08.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t09.abi
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Add prtevk in some files (to print EVK.nc file)
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2025-03-31 18:01:54 +02:00 |
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t10.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t11.abi
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Add prtevk in some files (to print EVK.nc file)
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2025-03-31 18:01:54 +02:00 |
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t12.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t13.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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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 |
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t22.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t29.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t30.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t31.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t32.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t33.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t34.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t35.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t36.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t37.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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t41.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t42.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t43.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t43.ddb
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change tol in call to symanalwq
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2020-10-21 10:47:13 +02:00 |
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t44.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t46.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t47.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t48.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t49.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t50.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t51.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t52.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t53.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t54.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t55.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t56.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t57.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t58.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t59.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t60.abi
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Merge gmatteo/merge_gwr into _gmatteo
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2025-04-08 08:52:12 +02:00 |
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t61.abi
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Exclude eos_nvhpc_24.9_openmpi in test where eos_nvhpc_23.9_elpa is excluded (bis)
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2025-04-03 21:53:27 +02:00 |
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t62.abi
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Exclude builder ubu_intel_16.0_openmp for tests v9_62 to _65, temporarily hopefully ...
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2025-04-10 09:43:31 +02:00 |
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t63.abi
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Exclude builder ubu_intel_16.0_openmp for tests v9_62 to _65, temporarily hopefully ...
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2025-04-10 09:43:31 +02:00 |
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t64.abi
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Exclude builder ubu_intel_16.0_openmp for tests v9_62 to _65, temporarily hopefully ...
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2025-04-10 09:43:31 +02:00 |
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t65.abi
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Exclude builder ubu_intel_16.0_openmp for tests v9_62 to _65, temporarily hopefully ...
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2025-04-10 09:43:31 +02:00 |
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t66.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t67.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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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 |
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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 |
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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 |
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t75.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t76.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t77.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t78.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t79.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t81.abi
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Suppress all exclude_builders, for checking purposes.
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2025-02-24 20:51:26 +01:00 |
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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 |
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t82.abi
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Suppress all exclude_builders, for checking purposes.
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2025-02-24 20:51:26 +01:00 |
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t83.abi
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Fix typo exclude_builders (instead of exclude_hosts)
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2025-02-26 08:47:17 +01:00 |
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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 |
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t84.abi
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Fix typo exclude_builders (instead of exclude_hosts)
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2025-02-26 08:47:17 +01:00 |
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t85.abi
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Fix typo exclude_builders (instead of exclude_hosts)
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2025-02-26 08:47:17 +01:00 |
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t86.abi
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Fix typo exclude_builders (instead of exclude_hosts)
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2025-02-26 08:47:17 +01:00 |
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t87.abi
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Fix typo exclude_builders (instead of exclude_hosts)
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2025-02-26 08:47:17 +01:00 |
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t88.abi
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Again minor modif of tolerances for v9 88
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2025-05-24 20:17:48 +02:00 |
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t89.abi
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Suppress all exclude_builders, for checking purposes.
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2025-02-24 20:51:26 +01:00 |
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t90.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-25 11:43:38 +01:00 |
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t91.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-25 11:43:38 +01:00 |
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t92.abi
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Rationalize keywords and add documentation
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2025-02-16 18:11:21 +01:00 |
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t93.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t94.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t95.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-25 11:43:38 +01:00 |
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t100.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t101.abi
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Abirules fix
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2025-04-04 17:05:13 +02:00 |
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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 |
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t103.abi
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conducti update
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2025-03-31 16:07:20 +02:00 |
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t104.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-25 11:43:38 +01:00 |
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t105.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t106.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t107.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t108.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-25 11:43:38 +01:00 |
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t109.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t110.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t111.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t112.abi
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Suppress all exclude_builders, for checking purposes.
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2025-02-24 20:51:26 +01:00 |
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t120.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t122.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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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 |
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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 |
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t132.abi
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Rationalize keywords and add documentation
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2025-02-16 18:11:21 +01:00 |
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t140.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t141.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t142.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t143.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t144.abi
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Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t145.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t146.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t147.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t148.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t150.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t160.abi
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Rationalize keywords and add documentation
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2025-02-16 18:11:21 +01:00 |
|
t161.abi
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Rationalize keywords and add documentation
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2025-02-16 18:11:21 +01:00 |
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t180.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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t180_POSCAR_mp-10173
|
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 |
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t181.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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t183.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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t184.abi
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tests
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2024-11-16 11:11:27 +01:00 |
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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 |
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t185.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
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 |
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t186.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t186_POSCAR_mp-1097860
|
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 |
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t187.abi
|
tests
|
2024-11-16 11:11:27 +01:00 |
|
t187_POSCAR_mp-1193887
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t188.abi
|
tests
|
2024-11-16 11:11:27 +01:00 |
|
t188_POSCAR_mp-1205582
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
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t189.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t190.abi
|
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t191.abi
|
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t192.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t193.abi
|
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
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2024-11-28 11:04:20 +01:00 |
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t195.abi
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tests
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2024-11-16 11:11:27 +01:00 |
|
t195_POSCAR_mp-1222593
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Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t196.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t196_POSCAR_mp-1218490
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t197.abi
|
tests
|
2024-11-16 11:11:27 +01:00 |
|
t197_POSCAR_mp-1193887
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t198.abi
|
tests
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2024-11-16 11:11:27 +01:00 |
|
t198_POSCAR_mp-505562
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t199.abi
|
tests
|
2024-11-16 11:11:27 +01:00 |
|
t199_POSCAR_mp-1246974
|
Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated.
|
2023-07-17 11:16:18 +02:00 |
|
t200.abi
|
mv v8/t201.205 to 211.215 to avoid conflicts
|
2025-03-31 13:53:38 +02:00 |
|
t201.abi
|
mv v8/t201.205 to 211.215 to avoid conflicts
|
2025-03-31 13:53:38 +02:00 |
|
t202.abi
|
mv v8/t201.205 to 211.215 to avoid conflicts
|
2025-03-31 13:53:38 +02:00 |
|
t205.abi
|
mv v8/t201.205 to 211.215 to avoid conflicts
|
2025-03-31 13:53:38 +02:00 |
|
t206.abi
|
Add cprj_in_memory=0 for tests with wfoptalg=111 (as the default value changed)
|
2025-05-06 12:29:29 +02:00 |
|
t207.abi
|
Add cprj_in_memory=0 for tests with wfoptalg=111 (as the default value changed)
|
2025-05-06 12:29:29 +02:00 |
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t210.abi
|
change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
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t211.abi
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change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
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t212.abi
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change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
|
t213.abi
|
change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
|
t214.abi
|
change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
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t215.abi
|
remove input variable efield2, efield_lambda2, efield_phase2, and move them to efield, etc, which now allows multiple efield. And add new variable nefield
|
2025-05-23 10:27:24 +02:00 |
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t216.abi
|
change to !CC_INTEL_ONEAPI so that classical intel compilers are allowed
|
2025-04-04 22:02:54 +02:00 |
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t216_HIST
|
adding autotest v9/t216 to test fit_weight_T in multibinit
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2025-03-31 16:26:56 +02:00 |
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t216_ddb.in
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adding autotest v9/t216 to test fit_weight_T in multibinit
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2025-03-31 16:26:56 +02:00 |
eb998f5db8