Page Index - ProkopHapala/FireCore GitHub Wiki

164 page(s) in this GitHub Wiki:

• Home
• User Help
• Runnning calculations
• Modules
• eFF
• Dev
• Code Structure
• ToDo:
• Features Dev
• Debugging
• Performance Optimization
• Useful software
• Utilities
• Programing Languages to consider
• Brainstroming
• Group Notes
• Study Notes
• From Conferences
• 2023 HBond Bologna
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• 2024 Nanoman Madrid
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• 2D chemical drawing
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• AI Coder Rules
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• AI coding
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• Applied Math
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• Assembly
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• Automatic Code Optimization
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• Bond Order potentials
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• Chemoinformatics and AI
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• Classical Forcefield derivation
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• Combined Distance Fields
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• Complilation Speedup
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• Computer Graphics Algorithms
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• Constrain Solvers
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• CUDA
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• debug checks
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• Debug_GridFF_Tricubic
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• Debugging Tools
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• DFT codes
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• Dimansionality reduction and visualization
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• Dynamics
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• eFF
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• EFF fitting
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• Fireball GPU
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• Free Energy
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• Functions
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• GPU Profiling
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• GridFF
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• GridFF Polarization
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• Group of Surface Molecular Design
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• Hydrogen Bonds correction
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• Interaction between molecular poses
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• Julia: Use troubleshoot
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• Lattice Optimization OCL OMP
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• LinuxTips
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• Machine Learning
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• Memory Leaks
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• Milan's questions
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• MMFFsp3_loc Optimization
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• Modern Fortran
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• Molecule configuration similarity database
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• Molecule Drawing Tools
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• Multi Threading
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• Multiple instances of atomic system in single GPU run
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• Notes on GPU programming
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• OCL_DFT
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• OpenACC
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• OpenCL performance tips
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• OpenMP
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• Otevrena Veda EFF
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• Otevrená Veda EFF
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• Other Useful Software
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• Particle collisions by linear solvers
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• Performance tests
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• Personal Page ‐ Prokop Hapala
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• Photochemical reactions
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• Profile Guided Optimization
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• Python Compilers JIT
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• QM DFT DFTB
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• Refactor Atomic System
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• Relaxation predictor
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• Research direction
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• Runnning calculations
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• SIMD Optimization
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• Spatial Indexing
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• Splines
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• ToDo
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• Tricubic Interpolation
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• Truncation of long range Coulomb
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• Units
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• Using ASan from inside C
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• Visualization 2D 3D
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