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MolSSI-Education
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python_scripting_cms
Python Data and Scripting course for computational chemists
https://molssi-education.github.io/python_scripting_cms
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Update 05-plotting.md
#71
BrandyRussell
opened
2 months ago
0
Update 01-introduction.md
#70
marie-nikolov
closed
2 years ago
0
Feb 2022
#69
janash
closed
2 years ago
0
Command line solution
#68
janash
closed
3 years ago
0
add molssi google analytics info
#67
janash
closed
3 years ago
0
Homework 3
#66
janash
closed
4 years ago
0
expand plotting to have subplots
#65
janash
closed
4 years ago
0
Expand git/GitHub and pytest material
#64
janash
closed
4 years ago
4
edit week 3 homework
#63
janash
closed
4 years ago
0
add homework for week 3
#62
janash
closed
4 years ago
0
add file parsing assignment and solution
#61
janash
closed
4 years ago
0
Use context-manager for open and read file
#60
khoivan88
opened
4 years ago
0
Introduce `elif` concept
#59
khoivan88
opened
4 years ago
2
switch command line lesson to use argparse
#58
janash
closed
4 years ago
3
add information on documenting functions using docstrings
#57
janash
closed
4 years ago
0
Propose the use of pytest.mark.parametrize to reduce code repetition …
#56
khoivan88
closed
4 years ago
2
Suggest some linting issues
#55
khoivan88
closed
4 years ago
0
Suggest alternative for find number of columns; Other typos and lintings
#54
khoivan88
opened
4 years ago
0
Use context-manager to open and read file
#53
khoivan88
opened
4 years ago
0
Suggestion for file_parsing documents
#52
khoivan88
closed
4 years ago
0
Some suggestion for python 3 convention
#51
khoivan88
closed
4 years ago
0
Update 04-tabular_data.md
#50
vincehradil
closed
4 years ago
4
Update 04-tabular_data.md
#49
vincehradil
closed
4 years ago
1
First draft of JOSE paper
#48
armcdona
closed
4 years ago
0
Styles
#47
janash
closed
5 years ago
0
add lesson about features of numpy arrays
#46
janash
closed
5 years ago
1
Fixed mistakes in command line lesson.
#45
armcdona
closed
5 years ago
0
update and fixes in command line lesson
#44
janash
closed
5 years ago
0
Edits to the functions lesson to fix mistakes.
#43
armcdona
closed
5 years ago
0
Updated functions lesson based on new range-based geometry analysis
#42
armcdona
closed
5 years ago
0
update plotting to include dpi info
#41
janash
closed
5 years ago
0
Updated tabular data lesson to fix geometry analysis project errors.
#40
armcdona
closed
5 years ago
0
Updated geometry analysis project to use range function.
#39
armcdona
closed
5 years ago
0
fixes in plotting lesson and additional material
#38
janash
closed
5 years ago
0
Fixed geometry analysis solution to use os.path.join
#37
armcdona
closed
5 years ago
1
clean up data and add new xyz files
#36
janash
closed
5 years ago
0
Plotting lesson
#35
janash
closed
5 years ago
1
Functions lesson
#34
janash
closed
5 years ago
0
Geometry analysis - distance calculation
#33
janash
closed
5 years ago
2
benzene.xyz file
#32
janash
closed
5 years ago
1
Introduction Lesson
#31
janash
closed
5 years ago
0
Multiple files
#30
janash
closed
5 years ago
0
Added git config, branches, and forking a repository.
#29
armcdona
closed
5 years ago
0
make edits to file parsing episode
#28
janash
closed
5 years ago
0
Added additional discussion of using the help menu for functions
#27
armcdona
closed
5 years ago
0
Added discussion of immutable variables and logic.
#26
armcdona
closed
5 years ago
0
edits to git/github episode
#25
janash
closed
5 years ago
0
Changing the name to Python Scripting for CMS
#24
armcdona
closed
5 years ago
0
Expansion of GitHub lesson
#23
armcdona
closed
5 years ago
0
Adding lesson about git and github.
#22
armcdona
closed
5 years ago
2
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