fb12f4059c
[skip-CI] Remove documentation for pw_export.
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Reinstate the previous value (4) for david_diago_ndim in order to have serial test pass again.
Not sure why the serial case is so sensitive to diago_david_ndim and especially why the number of scf iteration is so sensitive!
I have no time to look at this now but it should be clarified.
2020-07-15 15:57:20 +00:00
d00ef63cb0
[skip-CI] Added test for assume_isolated='2D'
2020-06-19 19:54:12 +00:00
121edf52c8
[Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are
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officially deprecated but there were several tests and examples using them
2019-02-23 22:45:29 +01:00
b12dbcf7ec
Removal of first batch of erroneously added files
2019-01-17 16:47:49 +01:00
19e0230dd2
some last-minute updates
2019-01-16 10:58:26 +01:00
232a2fbe57
Reference to SVN in the names of test-suite benchmark files and in the
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developer manual removed. Maybe it would be preferrable to have benchmarks
from a given reference version?
2018-07-18 15:15:46 +02:00
3321b0b40e
In the definition of PBE and PBE-like functionals, several constants were
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truncated to a small number of significant digits. This is completely
irrelevant in terms of resuts but stll sufficient to yield very small but
visible discrepancies with respect to other XC implementations. I have
converted to full precision all such constans I have spotted. There might
be more cases like these.
PW tests updated: a number of small changes, fixes and corrections
affecting the numerical results had accumulated.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13592 c92efa57-630b-4861-b058-cf58834340f0
2017-07-12 08:26:45 +00:00
f732ed8f44
Updated reference test-suite (PW and CP only)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13370 c92efa57-630b-4861-b058-cf58834340f0
2017-03-03 00:04:22 +00:00
cab03890b1
Regenerating all test-suite reference outputs (last time before move it into an external repo)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13285 c92efa57-630b-4861-b058-cf58834340f0
2017-02-05 21:19:46 +00:00
6328b8c82c
Reference benchmarks regenerated (PW and CP)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13070 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 19:22:13 +00:00
b406ac8632
Refresh all reference outputs for PW and CP
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12349 c92efa57-630b-4861-b058-cf58834340f0
2016-04-24 20:41:57 +00:00
846842b14a
All reference test-suite outputs renamed. There is always going to be a reference output for all tests in the SVN repo, updated when needed. Version tag will change to vX.Y.Z only inside the released package.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12344 c92efa57-630b-4861-b058-cf58834340f0
2016-04-23 10:59:17 +00:00
8229be554c
Reference benchmark outputs v5.3.0
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11963 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 12:43:46 +00:00
9d16702588
Removed old reference output
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11960 c92efa57-630b-4861-b058-cf58834340f0
2016-01-08 11:01:54 +00:00
48405e66d4
Initial commit test-suite based on TESTCODE, v0.9.6. Pre-computed reference benchmarks, revision 11920.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11921 c92efa57-630b-4861-b058-cf58834340f0
2015-12-26 19:40:22 +00:00
Paolo Giannozzi