optimize autotest document based on #891 #923
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HuangJiameng
commented
Aug 27, 2022
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HuangJiameng
commented
- fix contents according to suggestions in add the explanation of autotest to doc #891
- reorganize the document structure
- this doc is based on autotest wiki and README(devel)
add the explanation of autotest Signed-off-by: yato0422 <73833089+yato0422@users.noreply.github.com>
Signed-off-by: yato0422 <73833089+yato0422@users.noreply.github.com>
Signed-off-by: yato0422 <73833089+yato0422@users.noreply.github.com>
Signed-off-by: yato0422 <73833089+yato0422@users.noreply.github.com>
Signed-off-by: yato0422 <73833089+yato0422@users.noreply.github.com>
merge dev_hujunwei to autotest_wiki2website
- fix contents according to comments in deepmodeling#891 - reorganize the document structure
HuangJiameng
changed the title
Codecov Report
@@ Coverage Diff @@
## devel #923 +/- ##
==========================================
- Coverage 38.21% 38.14% -0.07%
==========================================
Files 99 99
Lines 17819 17883 +64
==========================================
+ Hits 6809 6821 +12
- Misses 11010 11062 +52
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@HuangJiameng do you want to replace #891 by this PR? If so I will close #891 |
Yes. Thanks. |
njzjz
requested changes
Aug 28, 2022
doc/autotest/property/properties/EOS-get-started-and-input-examples.md
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njzjz
requested changes
Aug 28, 2022
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It looks like the links are still unavailable. |
Hmm... They work well when I check them. |
Oh, I was wrong. |
doc/autotest/property/properties/EOS-get-started-and-input-examples.md
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doc/autotest/property/properties/Elastic-get-started-and-input-examples.md
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doc/autotest/property/properties/Surface-get-started-and-input-examples.md
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- remove parameter 'static-opt' - changed the default values for lammps minimize to 0 and 1e-10. - make the examples for each property consistent with Property-get-started-and-examples.md - move the results in Property-post.md to each property's example for post
doc/autotest/property/properties/EOS-get-started-and-input-examples.md
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| @@ -24,4 +24,4 @@ Equation of State (EOS) here calculates the energies of the most stable structur | |||
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| ``` | |||
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| `vol_start` is the starting volume per atom in Å^3/atom, `vol_step` is the increasing step of volume, and the biggest volume is smaller than `vol_end`. In the above example, 40 tasks would be generated as `task.000000` to `task.000020` with from 0.9 to 1.1 times the volume of equilibrium structure (Å^3/atom as the unit), respectively. | |||
| `vol_start` is the starting relative volume per atom in Å^3/atom, `vol_step` is the increasing step of the ratio of relative volume, and the biggest volume is smaller than `vol_end` times the volume of equilibrium structure. | |||
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How about this:
vol_start is the starting volume relative to the equilibrium structure, vol_step is the volume increment step relative to the equilibrium structure, and the biggest relative volume is smaller than vol_end.
kevinwenminion
approved these changes
Sep 1, 2022
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