GitHub - chenxin199261/Engine: QM package

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Name		Name	Last commit message	Last commit date
Latest commit History 4 Commits
.gitignore		.gitignore
DFT-back.f90		DFT-back.f90
DFT-back2.f90		DFT-back2.f90
DFT.f90		DFT.f90
Lebedev.F		Lebedev.F
Makefile		Makefile
README		README
SCF.f90		SCF.f90
bases		bases
basisint.f90		basisint.f90
engine.f90		engine.f90
force.f90		force.f90
grid_gen.f90		grid_gen.f90
gto_eval.f90		gto_eval.f90
guess.f90		guess.f90
lib_XC.F		lib_XC.F
libcint.a		libcint.a
main-back		main-back
mod_data.f90		mod_data.f90
parameter.h		parameter.h
solveKS.f90		solveKS.f90
tool_io.f90		tool_io.f90
tool_mat.f90		tool_mat.f90

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   Engine alpha-1.1

+++++   
   Engine: a independet quantum chemistry (QM) engine which provide QM 
           calculation results for other software. 
           It should be FAST
+++++   
   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