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Adding New Code to
P
SI
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Adding New Code to
P
SI
4
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Ways to Add Code: Psi4NumPy, Plugins, Full Integration
Easier and more rapid development
Rapid initial development using Psi4NumPy
Avoiding the need to modify Psi4, using plugins
Incorporating code into
P
SI
4
Creating New Plugins
Modular Approach to Development
Creating a New Plugin
Creating a New Plugin Using a Conda Pre-compiled Binary
Files in a Plugin Directory
Integrating New Features into
P
SI
4
Overview of Required Steps
Adding Methods to Driver
proc.py
Managed Methods
Python Style
How to Ignore the Bots
C++ Style
Prefer
nullptr
to
0
or
NULL
Prefer
std::make_shared
to direct use of
new
Prefer
auto
to explicit type declarations
Mark virtual functions in derived classes with override
Prefer
GiB
for memory printing
FAQ
C++ Style in
P
SI
4
Modules in
P
SI
4
Interfacing with
P
SI
4
Versioning
P
SI
4
Releasing
P
SI
4
Workflow
Miscellaneous
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P
SI
4
Adding New Code to
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SI
4