17 lines
491 B
Markdown
17 lines
491 B
Markdown
# LAMMPS NUMDIFF EXAMPLES FOR FORCES, VIRIAL, and BORN MATRIX
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## Numerical Difference Fixes and Computes
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This directory contains the input script for an NVE simulation with
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fix numdiff, fix numdiff/virial, and compute born/matrix numdiff.
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In each cases, results are compared to exact analytic expressions
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and the small relative differences are reported.
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Example:
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```
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NP=4 #number of processors
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mpirun -np $NP lmp_mpi -in.numdiff
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```
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## Required LAMMPS packages: EXTRA-FIX, EXTRA-COMPUTE
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