abinit/tests
trunk 0e6a27fb11 Fix merge markers in tests/tutorial/Refs/tpaw1_addons
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2021_Seddon_cDFT Act as in d1c4956f70 Mon Feb 17 11:50:32 2025 : Update copyright from 2024 to 2025 2025-02-19 21:55:04 +01:00
Pspdir Merge gmatteo/merge_gwr into _gmatteo 2025-04-09 16:57:25 +02:00
Scripts Merge commit '349f4d5afb' into develop 2025-02-19 21:49:42 +01:00
Timeout Update copyright from 2024 to 2025 2025-02-17 11:45:26 +01:00
atdep Update refs for atdep_39 and _40 2025-04-10 06:55:58 +02:00
atompaw Add ref files 2025-03-12 18:39:36 +01:00
bigdft Add ref files 2025-03-12 18:39:36 +01:00
bigdft_paral Add ref files 2025-03-12 18:39:36 +01:00
built-in replace refs v7-t48-t49 Optic SHG 2025-04-01 11:43:13 +02:00
config Update copyright from 2024 to 2025 2025-02-19 21:59:52 +01:00
cpu Update copyright from 2024 to 2025 2025-02-19 21:59:52 +01:00
doc/help_make
etsf_io Add ref files 2025-03-12 18:39:36 +01:00
fast Add ref files 2025-03-12 18:39:36 +01:00
gpu Merge gmatteo/merge_gwr into _gmatteo 2025-04-08 08:52:12 +02:00
gpu_kokkos Update gpu_kokkos#01 to make it more stable. 2025-05-24 06:36:32 +02:00
gpu_omp Add a test to check nothing goes wrong with gpu_thread_limit 2025-05-19 10:29:45 +02:00
gwpt_suite Add ref files 2025-03-12 18:39:36 +01:00
gwr_suite Fix problems related with the joint definition of tests/rttddft and the presence of rttddft in tests/tutorial (mv rttddft rttddft_suite) 2025-05-08 17:12:45 +02:00
hpc Add ref files 2025-03-12 18:39:36 +01:00
hpc_gpu_omp Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr 2025-04-04 11:22:27 +02:00
libxc Continue to work on the release notes 2025-05-09 13:26:00 +02:00
modules_with_data Added unit tests for the src/78_eph/m_varpeq.F90 module; also, some minor fixes 2025-02-22 18:07:52 +01:00
mpi_cfgs Echo in the log file information about the primitive cell when the input contains non-primitive cell. Also suppress unused *.cfg files. 2024-02-01 16:03:43 +01:00
mpiio Add ref files 2025-03-12 18:39:36 +01:00
paral Forgot few inputs (with HAVE_FFTW3) 2025-05-06 12:47:42 +02:00
psml Add ref files 2025-03-12 18:39:36 +01:00
pymods [runtests.py] Allow running one test asking more GPU than available 2025-03-11 14:15:54 +01:00
rttddft_suite RT-TDDFT: slightly adjusted tests again 3 2025-05-16 12:39:15 +02:00
seq Add ref files 2025-03-12 18:39:36 +01:00
tutoatdep Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr 2025-04-08 12:20:29 +02:00
tutomultibinit Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr 2025-04-08 12:20:29 +02:00
tutoparal Add ref files 2025-03-12 18:39:36 +01:00
tutoplugs Add ref files 2025-03-12 18:39:36 +01:00
tutorespfn bugfix: tuning the tutorial ref files 2025-04-23 16:05:39 +02:00
tutorial Fix merge markers in tests/tutorial/Refs/tpaw1_addons 2025-06-04 20:14:18 +02:00
unitary Merge branch 'release-10.4' 2025-06-04 19:00:14 +02:00
v1 Add ref files 2025-03-12 18:39:36 +01:00
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v3 Merge boustj/conducti into _boustj 2025-04-09 14:32:54 +02:00
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v5 Merge boustj/conducti into _boustj 2025-04-09 14:32:54 +02:00
v6 Adjust tolerances for v6_49 2025-05-15 21:23:24 +02:00
v7 Again update ref file for v7 #05. Strange ... 2025-05-27 16:22:21 +02:00
v8 update test v8/t104 2025-05-23 19:11:14 +02:00
v9 Merge xuhe/mb_inp_v10.4 into _xuhe-10.4 2025-05-27 14:17:26 +02:00
v10 Merge remote-tracking branch 'trunk/release-10.4' into release-10.4 2025-05-21 02:24:11 +02:00
v67mbpt Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr 2025-04-01 17:58:12 +02:00
vdwxc Add ref files 2025-03-12 18:39:36 +01:00
wannier90 Add ref files 2025-03-12 18:39:36 +01:00
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AUTHORS
COPYING
ChangeLog
INSTALL
NEWS
README
README.md
__init__.py Fix problems related with the joint definition of tests/rttddft and the presence of rttddft in tests/tutorial (mv rttddft rttddft_suite) 2025-05-08 17:12:45 +02:00
autogen.sh Update copyright from 2024 to 2025 2025-02-17 11:45:26 +01:00
check_testsuite.py Rationalize keywords and add documentation 2025-02-16 18:11:21 +01:00
config.sh.in
configure.ac Update copyright from 2024 to 2025 ... (to be continued) 2025-02-17 11:37:43 +01:00
pytests.py First attempt to run tests without exceeding a given CPU limit and GPU limit 2025-02-06 15:12:20 +01:00
runtests.py Rationalize keywords and add documentation 2025-02-16 18:11:21 +01:00
testbot.py update testbot.py 2025-04-29 14:26:16 +02:00
testtools.py First attempt to run tests without exceeding a given CPU limit and GPU limit 2025-02-06 15:12:20 +01:00
tox.ini
wipeout.sh Update copyright from 2024 to 2025 2025-02-17 11:45:26 +01:00

README.md

This directory, tests, contains tests which exercise parts of the ABINIT package.

These tests are designed primarily to exercise parts of the code quickly, NOT necessarily to give physically sensible results. For greater speed, some tests are not run to full convergence. Also the quality parameters (especially ecut) are minimal, i.e. the calculations are underconverged.

Most of them are ran through the runtests.py utility. Type

$ runtests.py --help

to get help.

There is a small README file in the subdirectories that contain the input and reference files. The documentation related specifically to one test is appended to the input file of this test, and can also be accessed through runtests.py (aka runtests.py -l).

Also, typing

$ make help

will give information on the use of the make command in the present directory. make mostly relies on runtests.py, but also triggers some other actions, in which runtests.py is not used.

The video below gives an overwiew of the command line options of runtests.py

asciicast