classical_md
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| In the directory Cdata have to exist file with parameters of potential with name NAME-OF-POTENTIAL.dat (in case above the program will look for file Lennard-Jones.dat). | In the directory Cdata have to exist file with parameters of potential with name NAME-OF-POTENTIAL.dat (in case above the program will look for file Lennard-Jones.dat). | ||
| - | ==== 2) Defines** frequency of outputs** in MD simulation. ==== | + | - **Defines __frequency of outputs__ in MD simulation.** |
| The implicit value is each 1000th cycle. The example of the definition: | The implicit value is each 1000th cycle. The example of the definition: | ||
classical_md.txt ยท Last modified: 2011/02/18 13:13 (external edit)
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