Page Index - Open-Quantum-Platform/openqp GitHub Wiki

182 page(s) in this GitHub Wiki:

• home
• Contents
• Administration Documentation
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• BASIS_SET
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• C API Structure
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• CentOS
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• CI Github
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• cmake options
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• Code Examples
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• Create a module of Fortran
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• Create a tagarray
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• Create a test
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• Data of OpenQP
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• Developer's Documentation
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• DFT Energy
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• DFT Examples
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• DFT Gradient
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• DFT Hess
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• DFT Hessian
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• DFT Optimization
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• DFTGRID
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• Directory Structure of OpenQP
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• DLFIND
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• DTCAM Functionals
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• DTCAM Functionals
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• Effective Core Potentials and Metal Complexes
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• Example Input Files
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• External Libraries
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• GUESS
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• HESS
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• Hessian Examples
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• How to make Inputs
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• How to tune CI Docker image
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• Initial Guess Options
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• INPUT
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• Input File System with PyOQP
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• Installation
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• MacOS
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• MECI Search
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• Modules of OpenQP
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• MRDF TDDFT
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• MRSF TDDFT NACME
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• MRSF Hess
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• MRSF TDDFT Energy
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• MRSF TDDFT Energy calculation
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• MRSF TDDFT Energy calculation log file
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• MRSF TDDFT Energy calculation Molden file
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• MRSF TDDFT Gradient
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• MRSF TDDFT Hessian
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• MRSF TDDFT MECI Optimization
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• MRSF TDDFT MEP Optimization
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• MRSF TDDFT NACME
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• MRSF TDDFT Optimization
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• MRSF TDDFT XAS
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• NAC
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• NACME Examples
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• NAMD Simulation with PyRAI2MD
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• OpenQP Input Generator Docker
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• OpenQP with Jupyter Notebook
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• OpenQP_Docker_Image
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• OpenQP_Input_Generator
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• OpenQP_with_Jupyter_Notebook
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• Optimization Examples
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• OPTIMIZE
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• Original Input File System
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• pfon
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• PROPERTIES
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• Quantum Chemistry
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• References
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• RHF DFT Hessian
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• RHF DFT Optimization
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• RHL_Miquel
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• Running jobs with pyOQP
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• SCF
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• SF TDDFT Energy
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• SF TDDFT Examples
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• SF TDDFT Gradient
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• Site_examples
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• Structure of OpenQP
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• Tagarray
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• TDDFT Energy
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• TDDFT Examples
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• TDDFT Gradient
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• TDHF
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• TDHF Energy
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• TDHF Examples
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• TDHF Gradient
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• Test
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• Tuning DTCAM Functionals
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• UBuntu
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• Understanding MRSF TDDFT
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• User Documentation
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