XinChenQC/Engine
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Engine alpha-1.1
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Engine: a independet quantum chemistry (QM) engine which provide QM
calculation results for other software.
It should be FAST
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Developer: Xin Chen
Email: chenxin199261@gmail.com
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Time-Line:
Create: JUL,2017 alpha-1.0
ReCreate: Mar,2021 alpha-1.1
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Developing, Don't use it !
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TodoList:
1. Density Fitting Calculation.
2. DirectSCF.
3. Fast Multipole 2e integrals.
4. Fast DFT grids calculation
## To be revitalized by AI