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methods used in the flexible partitioning scheme More...
Functions/Subroutines | |
subroutine, public | fp_eval (fp_env, subsys, cell) |
computest the forces and the energy due to the flexible potential & bias, and writes the weights file | |
methods used in the flexible partitioning scheme
subroutine, public fp_methods::fp_eval | ( | type(fp_type), pointer | fp_env, |
type(cp_subsys_type), pointer | subsys, | ||
type(cell_type), pointer | cell | ||
) |
computest the forces and the energy due to the flexible potential & bias, and writes the weights file
fp_env | ... |
subsys | ... |
cell | ... |
Definition at line 53 of file fp_methods.F.