scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/test-suite/pw_md
History
Paolo Giannozzi 49812ddf45 [skip-CI] The recently added test on Verlet dynamics hitting a wall seems to 
work only in a specific case and to give significant discrepancies in all other
cases. While waiting for better ideas, I have moved the test to the (renamed)
subdirectory "noexe" so that buildbot does not show almost all tests failing.
 		2023-01-10 16:58:20 +01:00
..
CMakeLists.txt Add test labels. 2022-06-05 15:34:04 -05:00
benchmark.out.git.inp=md-pot_extrap1.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=md-pot_extrap2.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=md-wfc_extrap1.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=md-wfc_extrap2.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=md.in Reference to SVN in the names of test-suite benchmark files and in the 2018-07-18 15:15:46 +02:00
benchmark.out.git.inp=md_restart_verlet.in Add benchmark file 2022-05-11 09:42:31 -04:00
md-pot_extrap1.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
md-pot_extrap2.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
md-wfc_extrap1.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
md-wfc_extrap2.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
md.in Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920. 2015-12-26 19:40:22 +00:00
md_restart_verlet.in Add a comment 2022-05-26 08:56:51 -04:00
md_restart_verlet_original.md Clean up MD restart test data before running 2022-05-26 08:52:34 -04:00