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WIP Refactor Version 2.0 #53

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JoshuaSBrown
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This is a draft in progress.

@JoshuaSBrown
Removed matrix files
34ea81b
@JoshuaSBrown
Switched file readers to using eigen matrices as opposed to local mat…
e7f1564 
…rix type
@JoshuaSBrown
Switched to eigen matrices in main
094177e
@JoshuaSBrown
Removed matrix tests
47257b0
@JoshuaSBrown
Updated main and qc_functions to use Eigen matrix and vector classes
0ad1283
@JoshuaSBrown
Added matrix helper functions
f99db21
@JoshuaSBrown
Updated tests and qc_functions.cpp
e77984a
@JoshuaSBrown
Fixing compiler errors
8239b14
@JoshuaSBrown
First successful compile
23f393f
@JoshuaSBrown
Add testing to log reader
47e3078
@JoshuaSBrown
Added test for overlap
3bcf329
@JoshuaSBrown
Added overlap test
9d70476
@JoshuaSBrown
checkpoint
c84823d
@JoshuaSBrown
Fixed error that was introduced
54b55e5
@JoshuaSBrown
Updated print statment and fixed error
e13daaa
@JoshuaSBrown
Updated version
eae3804
@JoshuaSBrown
Added switch for printing all transfer integrals
c9ba317
@JoshuaSBrown
Add eigen as a package to ci
7797dae
@JoshuaSBrown
Added eigen to ci development stage
9cbfb04
@JoshuaSBrown
Corrected formatting of print all
ab1c42b
@JoshuaSBrown
UPdate eigen install in travis
c71c9ae
@JoshuaSBrown
fixing eigen includes
43745c9
@JoshuaSBrown
Fix cmake eigen call
71238ec
@JoshuaSBrown
Fixed problem when reading overlap matrix with only a few coefficients
4188483
@JoshuaSBrown
Fixed error in script with J and, dimensions of matrices
e97a27d
@JoshuaSBrown
fixed script
95fd3bd
@JoshuaSBrown
Temporary changes
c458d90
@JoshuaSBrown
Removed unused function
fcc12f2
@JoshuaSBrown
Fixed error, removed cout lines unneeded, added extra test
6a801be
@JoshuaSBrown
Cleanup comments
1d8fcc5
@JoshuaSBrown
Group assignment test now working
d08e466
@JoshuaSBrown
Added atom_system for handling basis functions and other improvements
61b8217
@JoshuaSBrown
Make handling of basis function assignment more refined, and add checks
7c4ac40
@JoshuaSBrown
Cleanup swap
a4a3ed4
@JoshuaSBrown
Add test files
b8119b8
@JoshuaSBrown
Add missing header file
e9f9fd3
@JoshuaSBrown
Small fix to CMakeLists.txt
7d18f35
@JoshuaSBrown
Add back missing executable
7c6d40e
@JoshuaSBrown
Add CMakeLists.txt file for binary
2dc0765
@JoshuaSBrown
Switch project name to catnip as opposed to calcJ
89d55e7
@JoshuaSBrown
move calcJ config file to catnip config file
2b084ae
@JoshuaSBrown
bump cmake version
f007e82
@JoshuaSBrown
Fix small issues
489e625
@JoshuaSBrown
Add missing files
271ebee
@JoshuaSBrown
Small fix
15bcb8f
@JoshuaSBrown
Merge branch 'refactor' of github.com:JoshuaSBrown/QC_Tools into refa…
eeb7263 
…ctor
@JoshuaSBrown
Fix merge conflicts
70a204c
@JoshuaSBrown
Move to unique_ptrs to help with Memory issues because of large EIgen…
781dc20 
… matrices
@JoshuaSBrown
Move to c++17 standard
a1855d1
@JoshuaSBrown
First step to refactor argumenent parsing
c5e08ee
@JoshuaSBrown
Replacing int and double properties with numeric
e7b99c5
@JoshuaSBrown
Refactored fileexist property
49ae8b2
@JoshuaSBrown
Minor correction
77711c8
@JoshuaSBrown
Major refactor of arguments and properties
61f9909
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ghost commented Aug 7, 2020 •
edited by ghost
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DeepCode's analysis on #8f6bdb found:

  • ⚠️ 1 warning 👇
  • ✔️ 3 issues were fixed.

Top issues

Description Example fixes
Avoid looking up the key again while already iterating over key value pairs. Occurrences: 🔧 Example fixes

👉 View analysis in DeepCode’s Dashboard | Configure the bot

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