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fp_methods Module Reference

methods used in the flexible partitioning scheme More...

Functions/Subroutines

subroutine, public fp_eval (fp_env, subsys, cell)
 Computes the forces and the energy due to the flexible potential & bias, and writes the weights file.
 

Detailed Description

methods used in the flexible partitioning scheme

History
04.2006 [Joost VandeVondele]
Author
Joost VandeVondele

Function/Subroutine Documentation

◆ fp_eval()

subroutine, public fp_methods::fp_eval ( type(fp_type), pointer  fp_env,
type(cp_subsys_type), pointer  subsys,
type(cell_type), pointer  cell 
)

Computes the forces and the energy due to the flexible potential & bias, and writes the weights file.

Parameters
fp_env...
subsys...
cell...
History
04.2006 created [Joost VandeVondele]

Definition at line 54 of file fp_methods.F.

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