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added 2 commits
August 19, 2020 22:07
I can already use this version.
Signed-off-by: Yu Zhai <me@zhaiyusci.net>
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@zhaiyusci Thanks! I'll take a closer look later. |
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There are some trailing whitespaces in your commits. Can you run the following in the source tree to remove them? wget https://raw.githubusercontent.com/tovrstra/devscripts/master/scripts/ds-normalize-code -O ~/ds-normalize-code
chmod +x ~/ds-normalize-code
~/ds-normalize-codeThis is a bit clumsy, but it should work. The same script is used to check for trailing white spaces on Travis. (See https://travis-ci.com/github/molmod/tamkin/jobs/384495308#L1670) Thanks! |
Codecov Report
@@ Coverage Diff @@
## master #38 +/- ##
==========================================
+ Coverage 84.44% 84.58% +0.13%
==========================================
Files 31 32 +1
Lines 5259 5319 +60
Branches 941 953 +12
==========================================
+ Hits 4441 4499 +58
Misses 563 563
- Partials 255 257 +2
Continue to review full report at Codecov.
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In this pull request, Molpro output parser is contributed, which can be used to read out put from Molpro 2012.
This contribute is the first trial to solve #37 .