atomes 1.1.14
atomes: an atomic scale modeling tool box
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Directories | |
cp2k | |
cpmd | |
dl_poly | |
force_fields | |
lammps | |
Files | |
calc.c | |
Callbacks used in by the molecular dynamics calculation assistants Atom selection structure manipulation tools The initialization of the assistants. | |
calc.h | |
Variable declarations for the MD input preparation assistants. | |