Page Index - ProkopHapala/FireCore GitHub Wiki
77 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
- 2024 Nanoman Madrid
- 2D chemical drawing
- AI coding
- Applied Math
- Assembly
- Automatic Code Optimization
- Bond Order potentials
- Chemoinformatics and AI
- Classical Forcefield derivation
- Complilation Speedup
- Constrain Solvers
- CUDA
- Debug_GridFF_Tricubic
- Debugging Tools
- DFT codes
- Dynamics
- eFF
- EFF fitting
- Fireball GPU
- Free Energy
- Functions
- GridFF
- Group of Surface Molecular Design
- Hydrogen Bonds correction
- Interaction between molecular poses
- Lattice Optimization OCL OMP
- LinuxTips
- Machine Learning
- Memory Leaks
- Milan's questions
- MMFFsp3_loc Optimization
- Modern Fortran
- Molecule configuration similarity database
- Molecule Drawing Tools
- Multi Threading
- Multiple instances of atomic system in single GPU run
- Notes on GPU programming
- OCL_DFT
- OpenACC
- OpenCL performance tips
- OpenMP
- Otevrena Veda EFF
- Otevrená Veda EFF
- Other Useful Software
- Particle collisions by linear solvers
- Performance tests
- Personal Page ‐ Prokop Hapala
- Photochemical reactions
- Profile Guided Optimization
- Python Compilers JIT
- Refactor Atomic System
- Relaxation predictor
- Research direction
- Runnning calculations
- SIMD Optimization
- Spatial Indexing
- ToDo
- Tricubic Interpolation
- Units