Tutorials
- README0
- RMC Topology / FNC Generator
- Design Principles
- Class Structure
- Library Features
- FNC and Topology in RMC_POT
- Qn Network Analysis
- Network Model
- Definition of Qn
- Analysis Procedure
- 1. Extracting Atomic Species
- 2. Central–Bridge Search
- 3. Bridge–Second Search
- 4. Identifying Bridging Atoms
- 5. Determining Qn
- Analysis Results
- FNC (Fixed Neighbour Constraint)
- Role of FNC in RMC_POT
- Concept of FNC
- FNC Generation in This Library
- FNC Types
- FNC Pairs
- FNC File Structure
- Pair Symmetry
- Type Management
- Limitations of FNC
- Position in the Library
- Topology (
*.top) - Differences from FNC
- Bonded Potentials in RMC_POT
- Topology Structure
- Approach Used by This Library
- Bond Generation
- Angle Generation
- Bond Parameters
- Angle Parameters
- Atomic Information
- Unit Topology
- Network Topology
- Unit Topology vs. Network Topology
- Relationship to the SiO₂ Implementation
- Role of RmcConstraintWriter
- JSON Configuration File
- Configuration Flow
- network
- Neighbor Search
- second_use_first_network
- Bond Parameters
- Angle Parameters
- Atomic Information
- FNC Types
- Role of JSON
- SiO₂-Specific Settings
- Applying the Library to Other Materials
- Materials That Are Difficult to Handle
- Design Philosophy
- SiO₂ Implementation and Extension to Other Materials
- SiO₂-Specific Components
- 1. Definition of Qn
- 2. SiO₄ Tetrahedra
- 3. Bond Parameters
- 4. Angle Parameters
- General-Purpose Components
- Applicable Materials
- Future Extensions
- Position of This Library