BUILD_COORDINATES


Function

Build_Coordinates contains a procedure for building the hydrogen coordinates of a system.

Dependencies

Module Variables
CONSTANTS PI, UNDEFINED
DEFINITIONS DP
IO_UNITS OUTPUT
LINEAR_ALGEBRA CROSS_PRODUCT, NORMALIZE
RANDOM RANDOM_VECTOR
STATUS ERROR
ATOMS Most public items in the module.
MM_TERMS Most public items in the module.


Public Variables

None.

Public Procedures

There is a single public subroutine in this module.

SubroutinePurpose
BUILD_HYDROGENS Build the hydrogen coordinates of a system.


BUILD_HYDROGENS

This subroutine has no arguments.

Error Meaning
Cannot build hydrogen coordinates without appropriate MM definitions. There is no MM system definition for the system.




Stability

Stable although the algorithm could undoubtedly be improved!



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