Page Index - ProkopHapala/FireCore GitHub Wiki
161 page(s) in this GitHub Wiki:
- Home
- User Help
- Runnning calculations
- Modules
- eFF
- Dev
- Code Structure
- ToDo:
- Features Dev
- Debugging
- Performance Optimization
- 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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- 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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