Free trial
Toggle navigation
Applications
Products
Support
About us
Search
Search
Table of contents
1. General
2. Tutorials: Getting Started
3. Tutorials: ReaxFF & DFTB
4. Tutorials: Machine Learning Potentials
5. Tutorials: Advanced ParAMS
6. Input file: params.in
6.1. General input
6.2. Task: Optimization
6.2.1. Optimization in ParAMS 2023.1
6.2.2. General Naming Pattern
6.2.3. Optimizers
6.2.4. Stoppers and Exit Conditions
6.2.5. Generator, Selector, Spawning
6.2.6. Parallelization options
6.2.7. Checkpoints
6.2.8. Output and logging
6.2.9. Parameter constraints
6.2.10. Other input
6.3. Task: SinglePoint
6.4. Task: Sensitivity
6.5. Task: GenerateReference
6.6. Task: MachineLearning
7. ParAMS Main Script
8. Python Classes and Functions
9. User Interventions
10. Required Citations
11. Frequently Asked Questions
ParAMS
Documentation
/
ParAMS
/
6.
Input file: params.in
/
6.2.
Task: Optimization
6.2.
Task: Optimization
ΒΆ
6.2.1. Optimization in ParAMS 2023.1
6.2.2. General Naming Pattern
6.2.3. Optimizers
6.2.4. Stoppers and Exit Conditions
6.2.5. Generator, Selector, Spawning
6.2.6. Parallelization options
6.2.7. Checkpoints
6.2.8. Output and logging
6.2.9. Parameter constraints
6.2.10. Other input