test: update abacus input parameters for test_make_fp.py #836
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Codecov Report
@@ Coverage Diff @@
## devel #836 +/- ##
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+ Coverage 35.93% 36.10% +0.16%
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Files 97 97
Lines 17094 17161 +67
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+ Hits 6143 6196 +53
- Misses 10951 10965 +14
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Could you please explain the change of the keywords? It that due the update of abacus version? Which version are the new keywords compatible to? |
OK. Yes, this is due to the update of abacus version. The new keywords are compatible to abacus versions higher than 2.2, since there was important change of input keywords from 2.2 version of abacus. The changed keywords include: |
| assert(fp_params["deepks_scf"] == 0 or fp_params["deepks_scf"] == 1), "'deepks_scf' should be either 0 or 1." | ||
| ret += "deepks_scf %d\n" % fp_params["deepks_scf"] | ||
| elif key == "deepks_model": | ||
| ret += "deepks_model %s\n" % fp_params["deepks_model"] | ||
| elif key != "k_points": # "k_points key is used to generate KPT file." |
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This elif is necessary. The k_points is also specified in fp_params, but can not be written in INPUT file.
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This k_points tag has been upgraded to the same level as 'user_fp_param'. Users may also use 'fp_kpt_file' to read KPT file now.
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Got that. I have no other questions.
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The current test error seems not caused by this PR, since I installed the devel branch without this PR locally and got the same error. |
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The error is fixed by #839. |
Thanks! |
update abacus input parameters for test_make_fp.py