search

MolSSI-Education / QM_2017_SSS_Team3

BSD 3-Clause "New" or "Revised" License
0 stars 5 forks source link

Construct the overall structure module (issue #19) #35

Closed hongzhouye closed 7 years ago

hongzhouye commented 7 years ago

close #19

note that I've changed hf.py to scf.py

Users can use our program by:

import scf
scf.init(...)
scf.run(...)
scf.clean(...)

I don't know why this new PR is put together w/ previous PR's. Anyway the newest one should close #36

codecov[bot] commented 7 years ago

Codecov Report

Merging #35 into master will decrease coverage by 7.93%. The diff coverage is 0%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #35      +/-   ##
==========================================
- Coverage   22.22%   14.28%   -7.94%     
==========================================
  Files           4        6       +2     
  Lines           9       14       +5     
==========================================
  Hits            2        2              
- Misses          7       12       +5
Impacted Files Coverage Δ
scf/__init__.py 0% <0%> (ø) :arrow_up:
scf/clean.py 0% <0%> (ø)
scf/init.py 0% <0%> (ø)
scf/run.py 0% <0%> (ø)

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update dcd9a3c...a140e2d. Read the comment docs.