File/Folder Name Description
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OpenQP source codes folder
|--CMakeLists.txt CMake list file
|--README.md main README file
|
|--basis_sets basis set file folder
|
|--bin special script folder
|
|--cmake cmake setting folder
|
|--examples example input files
| |--DFT example folder of DFT calculations
| |--HESS example folder of Hessian calculations
| |--HF example folder of HF calculations
| |--MRSF-TDDFT example folder of MRSF-TDDFT calculations
| |--OPT example folder of Geom. Opt. calculations
| |--SF-TDDFT example folder of SF-TDDFT calculations
| |--TDDFT example folder of TDDFT calculations
| |--TDHF example folder of TDHF calculations
| `-other example folder of quick test calculations
|
|--external folders of external libraries
| |--fprettify fprettify folder
| |--libint libint folder
| |--libtagarray tagarray folder
| `-libxc libXC folder
|
|--include folder of header file
|
|--lib folder of oqp library
|
|--pyoqp PyOQP folder
| |--oqp main python script folder
| |--library python wrapper folder of **OQP_modules**
| |--molden molden interface folder
| |--molecule input folder of OpenQP
| |--periodic_table periodic table folder
| `-utils utility folder
|
|--source main source folder
| |--io io runtine folder
| |--mathlib BLAS/LAPACK API folder
| `-modules **OpenQP_modules** folder
|
|--tests test folder of basic function
|
`-tools tool folder of basic operation
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