abinit/tests/v9/Input
trunk 1233e1111b 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) 2025-02-16 18:41:25 +01:00
..
BTO.DDB Add projected Wannier function method for Lattice Wannier function. 2022-04-21 09:22:59 +02:00
mgb2.ucell Add mgb2.ucell 2020-03-30 13:26:44 +02:00
si_with_quad_block_not_at_the_end_DDB Fix possible error if DDB contains a LONGWAVE block that is not located at the end 2021-10-15 23:55:31 +02:00
t01.abi wfk_tofullbz --> wfk_to_bz + code cleanup in m_mlwfovl 2024-07-08 12:15:43 +02:00
t02.abi Implement chksymtnons=3, where the FFT grid and spatial symmetry operations are coherent with each others. 2022-01-19 21:36:04 +01:00
t03.abi Implement chksymtnons=3, where the FFT grid and spatial symmetry operations are coherent with each others. 2022-01-19 21:36:04 +01:00
t04.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t04.outdata_DS1_GSR.nc Mention structure variable in release notes 2020-03-05 00:27:56 +01:00
t04.outdata_DS1_HIST.nc Mention structure variable in release notes 2020-03-05 00:27:56 +01:00
t04_POSCAR Fix for py2 (when do we drop support for py2k?) 2020-02-28 02:03:20 +01:00
t04_cart_POSCAR Fix bug when reading POSCAR files with Cartesian coords (conversion to Bohr was missing) 2020-10-27 00:26:10 +01:00
t05.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t06.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t07.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t08.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t09.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t10.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t11.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t12.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t13.abi All v9 #13,14,93,94 have been tuned. kptopt 4 does not seem to work for 14 and 94 ?! 2022-04-06 21:49:17 +02:00
t14.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t19.abi 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) 2025-02-16 18:41:25 +01:00
t22.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t29.abi Continue to stabilize on nvhpc 23.9 2023-11-06 00:57:08 +01:00
t30.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t31.abi Adjust tol for v9 31 2024-09-15 15:10:41 +02:00
t32.abi Version for buildbot 2022-10-22 18:22:58 +02:00
t33.abi typos in previous commit 2021-02-17 13:05:43 +01:00
t34.abi Updated names for gw1rdm tests 2020-12-10 09:40:07 +01:00
t35.abi Updated names for gw1rdm tests 2020-12-10 09:40:07 +01:00
t36.abi Updated names for gw1rdm tests 2020-12-10 09:40:07 +01:00
t37.abi Print right sum of occs and updated test 2021-06-12 17:37:46 +02:00
t40.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t41.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t42.abi Updated all(?) input and reference files for change of default for rfatpol . 2022-05-19 10:48:59 +02:00
t43.abi Squashed commit of the following: 2020-12-09 18:50:27 +01:00
t43.ddb change tol in call to symanalwq 2020-10-21 10:47:13 +02:00
t44.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t46.abi Update files for v9 longwave tests 2022-08-03 12:25:16 +02:00
t47.abi 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. 2021-09-22 06:40:32 +02:00
t48.abi 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. 2021-09-22 06:40:32 +02:00
t49.abi 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. 2021-09-22 06:40:32 +02:00
t50.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t51.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t52.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t53.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t54.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t55.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t56.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t57.abi exclude_builders 2024-08-05 16:02:36 +02:00
t58.abi exclude_builders 2024-08-05 16:02:36 +02:00
t59.abi exclude_builders 2024-08-05 16:02:36 +02:00
t60.abi exclude_builders 2024-08-05 16:02:36 +02:00
t61.abi exclude_builders 2024-08-05 16:02:36 +02:00
t62.abi Remove duplicated exclude_builders 2024-08-05 16:36:10 +02:00
t63.abi exclude_builders 2024-08-05 16:02:36 +02:00
t64.abi exclude_builders 2024-08-05 16:02:36 +02:00
t65.abi exclude_builders 2024-08-05 16:02:36 +02:00
t66.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t67.abi Add test for UPF2 pseudos (scalar version) 2023-01-07 16:43:58 +01:00
t71.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t72.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t73.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t74.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t75.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t76.abi Modify fld_options for v9 # 76 and 78 2023-04-30 20:34:22 +02:00
t77.abi Add fixed number of iterations for tests t76-t79. 2023-01-17 09:49:26 +01:00
t78.abi Modify fld_options for v9 # 76 and 78 2023-04-30 20:34:22 +02:00
t79.abi Fix inconsistent spinat and nsppol in more than 20 test files 2024-11-06 12:09:18 +01:00
t81.abi update variable documentation for Multibinit files, and debug related tests 2022-06-15 10:17:10 +02:00
t81.xml add autotest v9/81:set spin initial state, v9/82: spin damping and switch off unimplemented variables 2020-03-02 08:31:57 +01:00
t82.abi update variable documentation for Multibinit files, and debug related tests 2022-06-15 10:17:10 +02:00
t83.abi Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1) 2024-11-08 21:01:42 +01:00
t83.nc add autotest v9_84 berendsen NVT,85 Velocity Verlet NVE for lattice mover in multibinit 2020-03-03 11:30:13 +01:00
t84.abi Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1) 2024-11-08 21:01:42 +01:00
t85.abi Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1) 2024-11-08 21:01:42 +01:00
t86.abi Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1) 2024-11-08 21:01:42 +01:00
t87.abi Exclude 6 tests for NGS based on NAG 7.2 (all six were already excluded for NAG 7.1) 2024-11-08 21:01:42 +01:00
t88.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t89.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t90.abi Fix the documentation. Also replaces "pdir" bu "periodic_dir" in m_gtermcutoff.F90 2023-03-03 09:20:10 +01:00
t91.abi Standardize the use of nqfd instead of nqFD, and echo it, instead of he_qFD and nh_qFD 2021-02-20 14:46:02 +01:00
t92.abi update test 2024-05-02 01:59:02 +02:00
t93.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t94.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t95.abi correct topics abirefdebug was not happy 2023-12-24 12:07:17 +01:00
t100.abi Update tests Refs 2022-07-05 12:02:25 +02:00
t101.abi Slight adjustement of test v9#101 tolerances 2022-04-22 07:53:01 +02:00
t102.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t103.abi Add news teests for optics + SOC 2022-04-21 13:49:36 +02:00
t104.abi modified documentation and added tests for optcell 4,5,6 modification 2022-06-12 15:51:22 +02:00
t105.abi Merge release-9.10 in merge-9.10 (lmacenul contrib) 2024-02-18 17:56:51 +01:00
t106.abi Numerical tuning of tests 2023-02-07 17:28:04 +00:00
t107.abi Numerical tuning of tests 2023-02-07 17:28:04 +00:00
t108.abi Create a new topic AtomCentered. Also clean the release notes (GWR not in production). 2023-06-14 16:58:38 +02:00
t109.abi Conflic with trunk solved 2023-04-25 10:34:36 +02:00
t110.abi adjusting tests tutorial[tlwf_1], v9[t110], v9[t111] 2022-05-03 09:36:25 +02:00
t111.abi adjusting tests tutorial[tlwf_1], v9[t110], v9[t111] 2022-05-03 09:36:25 +02:00
t112.abi Exclude several tests "passed" (instead of "succeeded" from EOZ 2024-09-16 08:22:07 +02:00
t120.abi Add test for UPF2 pseudos (scalar version) 2023-01-07 16:43:58 +01:00
t122.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t130.abi Tune the tests for aI0 , especially need to adjust fld_option for v9#130 2025-02-16 06:54:35 +01:00
t131.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t132.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t140.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t141.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t142.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t143.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t144.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t145.abi added MINIMAL tags to tests for the mini suite for make check 2024-07-03 17:41:50 -04:00
t146.abi Remove toldfe from t146.abi and t147.abi 2023-04-03 10:10:43 +02:00
t147.abi Remove toldfe from t146.abi and t147.abi 2023-04-03 10:10:43 +02:00
t148.abi Adjust some tolerances for eos 2023-09-10 18:08:47 +02:00
t150.abi resolve conflicts 2023-05-17 10:36:43 +02:00
t160.abi Overhaul of ddb and ddb_hdr types 2023-06-28 23:50:57 -04:00
t161.abi Overhaul of ddb and ddb_hdr types 2023-06-28 23:50:57 -04:00
t180.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t180_POSCAR_mp-10173 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t181.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t181_POSCAR_mp-11213 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t183.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t183_POSCAR_mp-1003856 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t184.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t184_POSCAR_mp-1174567 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t185.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t185_POSCAR_mp-1055932 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t186.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t186_POSCAR_mp-1097860 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t187.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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
t189.abi Initialize tests/v10 2024-03-22 05:55:22 +01:00
t190.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t191.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t192.abi 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. 2024-03-15 10:23:17 +01:00
t193.abi Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
t195.abi Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
t195_POSCAR_mp-1222593 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 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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 Renumber all v9 tests linked to the recognition of geometry. Refs files not yet updated. 2023-07-17 11:16:18 +02:00
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 Correct tolwfr_diago and test it in t202 2023-10-17 15:35:43 +02:00
t201.abi Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1. 2024-11-15 13:59:20 +01:00
t202.abi Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1. 2024-11-15 13:59:20 +01:00
t205.abi Add "HAVE_FFTW3 or HAVE_DFTI" statement for cases with bandpp>1. 2024-11-15 13:59:20 +01:00
t206.abi Merge baguetl/fix-fft-goedecker-openmp into _baguetl-2.4 2024-11-27 08:27:30 +01:00
t207.abi Merge baguetl/fix-fft-goedecker-openmp into _baguetl-2.4 2024-11-27 08:27:30 +01:00