File tree Expand file tree Collapse file tree 2 files changed +41
-1
lines changed Expand file tree Collapse file tree 2 files changed +41
-1
lines changed Original file line number Diff line number Diff line change 1+ .. _api_v3 :
2+
3+ # PySCF v3 API proposals
4+
5+ .. This page lists proposed changes to the API in PySCF-v3
6+
7+ ## Removing TaggedNPArray
8+
9+ ### Passing additional keyword arguments
10+
11+ ### Returning multiple values instead of the TaggedNPArray
12+
13+ ### Global configuration to control the return style
14+
15+ ---
16+
17+ ## Introducing a universal NumPy interface for various NumPy-compatible libraries
18+
19+ A general NumPy wrapper can be developed in PySCF to provide a universal interface
20+ to access NumPy functions. This interface would enable automatic switching to
21+ `jax.numpy ` or `torch ` functions depending on the runtime context.
22+
23+ This interface can be imported as::
24+
25+ import pyscf.numpy as fnp
26+
27+
28+ ---
29+
30+ ## Allowing extensions written in C++
Original file line number Diff line number Diff line change 11# Contributor Guide
22
3- A more complete Contributor Guide for PySCF is planned for the future.
3+ A more complete Contributor Guide and planned tasks for PySCF for the future.
44
55``` {toctree}
66:caption: Style guide
@@ -9,3 +9,13 @@ A more complete Contributor Guide for PySCF is planned for the future.
99code-standard
1010```
1111
12+ ``` {toctree}
13+ :caption: API change proposals
14+ :maxdepth: 1
15+
16+ api-v3.rst
17+ ```
18+
19+ ``` {toctree}
20+ :caption: Feature requests
21+ ```
You can’t perform that action at this time.
0 commit comments