MD++ Manuals: Difference between revisions
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<H4>Manuals</H4> |
<H4>Manuals</H4> |
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<UL> |
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<LI> [http://micro.stanford.edu/MDpp/entries? MD++ Documentation] |
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<LI>[[M01 Introduction to MD++]] |
<LI>[[M01 Introduction to MD++]] |
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<LI>[[M02 Making a Perfect Crystal]] |
<LI>[[M02 Making a Perfect Crystal]] |
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<LI>[[M06 Visualization ]] |
<LI>[[M06 Visualization ]] |
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<LI>[[M07 Computing Elastic Constants | M07 Computing Elastic Constants at ''T'' = 0]] |
<LI>[[M07 Computing Elastic Constants | M07 Computing Elastic Constants at ''T'' = 0]] |
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<LI>[[M09 Computing Ideal Strength]] |
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<LI>[[ |
<LI>[[M10 DisregistryAnalysis | M10 Visualize Disregistry vector]] |
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<LI>[[M11 MD++ Powered by Python]] |
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<LI>[http://micro.stanford.edu/~caiwei/me346/ Molecular Simulations Lecture Notes] |
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<LI>[[Comprehensive Nuclear Materials MD Case Studies | Case Studies of Crystals and Dislocations]] |
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<LI>[[MD++ An Example Script File | An Example Script File]] |
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<LI>[[MD++ An Example Tcl File | An Example Tcl File]] |
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</UL> |
</UL> |
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<LI>[[MD Potential Files]] |
<LI>[[MD Potential Files]] |
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<LI>[[Making Amimations Using a MD++ Script File | Making Movies in MD++]] |
<LI>[[Making Amimations Using a MD++ Script File | Making Movies in MD++]] |
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<LI>[[Output File Formats in MD++]] |
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<LI>[[Running MD++ on Mac OS]] |
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<LI>[[Submit MD++ Jobs to a Cluster]] |
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</UL> |
</UL> |
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<LI>[[media:ewald_notes.pdf | Notes on Ewald Summation]] |
<LI>[[media:ewald_notes.pdf | Notes on Ewald Summation]] |
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<LI>[[Computing Melting Point by Free Energy Method]] |
<LI>[[Computing Melting Point by Free Energy Method]] |
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<LI>[[M04A Conjugate Gradient Method in MD++]] |
<LI>[[M04A Conjugate Gradient Method in MD++ | Conjugate Gradient Methods in MD++]] |
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<LI>[[Use MEAM in MD++]] |
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<LI>[[media:Day1_Ising_Demo.pdf | Monte Carlo Simulation of 2D Ising Model]] |
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<LI>[[Phonon dispersion relation | Phonon Dispersion Relation of Graphene]] |
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<LI>[[Calculating diffusivity]] |
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</UL> |
</UL> |
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Latest revision as of 07:10, 17 September 2015
Manuals
- MD++ Documentation
- M01 Introduction to MD++
- M02 Making a Perfect Crystal
- M03 Equilibrium Lattice Constant and Bulk Modulus
- M04 Energy Minimization of Vacancy
- M05 Finite Temperature Simulation
- M06 Visualization
- M07 Computing Elastic Constants at T = 0
- M08 MD++ Powered by Tcl Language
- M09 Computing Ideal Strength
- M10 Visualize Disregistry vector
- M11 MD++ Powered by Python
- Molecular Simulations Lecture Notes
- Case Studies of Crystals and Dislocations
- An Example Script File
- An Example Tcl File
Technical details
- MD++ FAQs
- MD Potential Files
- Making Movies in MD++
- Output File Formats in MD++
- Running MD++ on Mac OS
- Submit MD++ Jobs to a Cluster
Advanced topics
- Notes on Ewald Summation
- Computing Melting Point by Free Energy Method
- Conjugate Gradient Methods in MD++
- Computing Elastic Constants at Finite Temperature
- Conservation of Angular Momentum
- Use MEAM in MD++
- Monte Carlo Simulation of 2D Ising Model
- Phonon Dispersion Relation of Graphene
- Calculating diffusivity