翻译认领处（筹）

[zhaiyusci]

似乎没有一个翻译认领的机制…… 有意向的在这里接龙可否？

[Roy-Kid]

可! 您可以先把目录建起来, 后面的人直接拷贝模板接龙即可. 例如:

• [x] 修改势函数
  您可以先直接提交markdown, 后期我会整理成manual找个地方托管

[zhaiyusci]

• [x] Foreword - @zhaiyusci
• [x] Contributors - @zhaiyusci
• [x] Preface - @zhaiyusci

Section 1: Getting Started with LAMMPS

1 MD Theory and Simulation Practices

• [ ] Technical requirements
• [ ] Introducing MD theory
• [ ] Understanding the dynamics of point particles
• [ ] Performing iterative updates using the Velocity Verlet algorithm
• [ ] Understanding rotational motion
• [ ] Examining temperature and velocity distribution of particles
• [ ] Implementing MD simulation practices
• [ ] Summary
• [ ] Questions

2 LAMMPS Syntax and Source Code Hierarchy

• [ ] Technical requirements
• [ ] Introducing the LAMMPS input script structure
• [ ] Introducing the source code repository
• [ ] Reviewing the source code hierarchy
• [ ] Summary
• [ ] Further reading
• [ ] Questions

Section 2: Understanding the Source Code Structure

3 Source Code Structure and Stages of Execution

• [ ] Technical requirements
• [ ] Introducing parent and child classes
• [ ] Stages of executing the simulation
• [ ] Role of pointers class
• [ ] Parsing input script commands by input.cpp
• [ ] Summary
• [ ] Further reading
• [ ] Questions

4 Accessing Information by Variables, Arrays, and Methods

• [ ] Technical requirements
• [ ] Accessing atom properties during simulation runs
• [ ] Requesting a neighbor list
• [ ] Accessing physical constants
• [ ] Reading parameters from the input script
• [ ] Incorporating new data types
• [ ] Summary
• [ ] Questions

5 Understanding Pair Styles

• [ ] Technical requirements
• [ ] Reviewing the general structure of pair styles
• [ ] Reviewing the Morse potential
• [ ] Reviewing the table potential
• [ ] Reviewing the DPD potential 80 Questions
• [ ] Summary
• [ ] Questions

6 Understanding Computes

• [ ] Technical requirements
• [ ] Reviewing the general structure of computes
• [ ] Reviewing the compute KE class
• [ ] Reviewing the compute group/group class
• [ ] Reviewing the compute RDF class
• [ ] Reviewing the compute heat flux class
• [ ] Summary
• [ ] Questions

7 Understanding Fixes

• [ ] Technical requirements
• [ ] Exploring the general structure of fixes
• [ ] Reviewing the Fix AddForce class
• [ ] Studying the Fix NVE class
• [ ] Studying the Fix NH class
• [ ] Studying the Fix Print class
• [ ] Reviewing the Fix Orient/FCC class
• [ ] Analyzing the Fix Wall and Fix Wall/LJ126 classes
• [ ] Exploring the Fix Rigid class
• [ ] Summary
• [ ] Questions

8 Exploring Supporting Classes

• [ ] Technical requirements
• [ ] Discovering the Group class
• [ ] Exploring the Variable class
• [ ] Studying the Error class
• [ ] Reviewing the Memory class
• [ ] Discussing the Angle and angle/harmonic classes
• [ ] Summary
• [ ] Questions

Section 3: Modifying the Source Code

9 Modifying Pair Potentials

• [ ] Technical requirements
• [ ] Writing a harmonic potential
• [ ] Writing a height-dependent pair potential
• [ ] Writing a friction-based pair style
• [ ] Summary
• [ ] Questions

10 Modifying Force Applications

• [ ] Technical requirements
• [ ] Writing a fix to apply a 2D spring force
• [ ] Writing a fix to apply an active force
• [ ] Writing a fix to apply a custom wall force
• [ ] Writing a fix to apply a bond-boost potential
• [ ] Summary
• [ ] Questions

11 Modifying Thermostats

• [ ] Technical requirements
• [ ] Writing a fix to apply the Andersen thermostat
• [ ] Writing a fix to apply a nonlinear temperature increment
• [ ] Writing a fix to print output at evaporation
• [ ] Summary
• [ ] Questions

Appendix A Building LAMMPS with CMake

• [ ] Technical requirements
• [ ] Prerequisites for working with LAMMPS
• [ ] Building LAMMPS
• [ ] Compiling LAMMPS in Windows
• [ ] Developing LAMMPS
• [ ] Building with Make
• [ ] Further reading

Appendix B Debugging Programs

• [ ] Technical requirements
• [ ] What is debugging?
• [ ] Prerequisites
• [ ] Method 1 – Debugging with GDB
• [ ] Method 2 – Debugging with VSCode
• [ ] Insight into sbmask()
• [ ] Further reading

Appendix C Getting Familiar with MPI

• [ ] Technical requirements
• [ ] What is MPI?
• [ ] MPI message
• [ ] MPI in LAMMPS
• [ ] Example of evaluating pi
• [ ] Data exchange between owned atoms and ghost atoms

Appendix D Compatibility with Version 29Oct20

• [ ] Technical requirements
• [ ] Translating Fix Widom into the 3Mar20 version

[jtyang-chem]

• [x] 2 LAMMPS Syntax and Source Code Hierarchy - @jtyang-chem
• Technical requirements
• Introducing the LAMMPS input script structure
• Introducing the source code repository
• Reviewing the source code hierarchy
• Summary
• Further reading
• Questions