Pinned Repositories
ajz34.readthedocs.io
Miscellaneous python code documents and ajz34's main blog
alchemy-dgnn
Alchemy Competition (held by Tencent) program using dual graph (convolution) neural network
blas-array2
Parameter-optional BLAS wrapper by ndarray::Array1/2 in rust
dh
A trial to implement doubly-hybrid interface to PySCF
FGO_Qt_Toolkit
Not finished project
Kennard-Stone-Efficient
Efficiently implemented Kennard-Stone sampling algorithms for quite large datasets
Py_xDH
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
PyCrawfordProgProj
Crawford's Quantum Chemistry Exercises by Python approach
QCQI_exercises
Solution to Nielsen & Chuang's Quantum Computation and Quantum Information in Chinese (only chapter 4-6 available >.<)
vdw
https://gitee.com/ajz34/vdw.git
ajz34's Repositories
ajz34/Py_xDH
Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
ajz34/PyCrawfordProgProj
Crawford's Quantum Chemistry Exercises by Python approach
ajz34/QCQI_exercises
Solution to Nielsen & Chuang's Quantum Computation and Quantum Information in Chinese (only chapter 4-6 available >.<)
ajz34/ajz34.readthedocs.io
Miscellaneous python code documents and ajz34's main blog
ajz34/dh
A trial to implement doubly-hybrid interface to PySCF
ajz34/Kennard-Stone-Efficient
Efficiently implemented Kennard-Stone sampling algorithms for quite large datasets
ajz34/vdw
https://gitee.com/ajz34/vdw.git
ajz34/phd-thesis
PhD thesis of my work in Fudan University
ajz34/ajz34
About ajz34 ⁄(⁄ ⁄•⁄ω⁄•⁄ ⁄)⁄
ajz34/PyCrawfordProgProj-zh
Crawford 的量子化学程序练习 (通过 PySCF 实现)
ajz34/pyscf-forge
pyscf-forge is a collection of extensions for pyscf
ajz34/blas-array2
Parameter-optional BLAS wrapper by ndarray::Array1/2 in rust
ajz34/ajz34.github.io
ajz34's blog
ajz34/dftd3
DFT-D3 interface
ajz34/dftd4-feedstock
A conda-smithy repository for dftd4.
ajz34/issue_openblas_dsyev
ajz34/LAFF-On-PfHP
Repository for "LAFF-On Programming for High Performance"
ajz34/lapack-array2
Implementation of parameter-optional LAPACK by ndarray::Array1/2
ajz34/LeetCodeLearn
Learning language and algorithm by code-brushing
ajz34/libdftd3
A python wrapper for https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/get-the-current-version-of-dft-d3
ajz34/properties
Molecular and crystal electromagnetic properties
ajz34/pyscf
Python module for quantum chemistry
ajz34/pyscf-tblis
A wrapper to call TBLIS functions
ajz34/pyscf.github.io
PySCF website and documentation
ajz34/rest_libcint
The wrappers to libcint (C), used in the Rust-based Electronic-Structure Tool (REST)
ajz34/rustlings
My solution to exercises to get myself (halfway) used to reading and writing Rust code!
ajz34/semiempirical
Semi-empirical methods for PySCF
ajz34/ShiArthur03
ajz34/street-fighter-ai
This is an AI agent for Street Fighter II Champion Edition.
ajz34/xDH4Gau
A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)