Documentation for module qs_linres_epr_ownutils

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source: qs_linres_epr_ownutils.F
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public Subroutines/Functions:

SUBROUTINE
epr_g_print (epr_env, qs_env)
Prints the g tensor
Calculates g_so
Calculates g_soo (soft part only for now)
SUBROUTINE
epr_g_zke (epr_env, qs_env)
Calculate zke part of the g tensor
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SUBROUTINEepr_g_print(epr_env, qs_env)

Prints the g tensor

Arguments:
:: epr_env ...
POINTER
:: qs_env ...

SUBROUTINEepr_g_so(epr_env, current_env, qs_env, ib)

Calculates g_so

Arguments:
:: epr_env ...
:: current_env ...
POINTER
:: qs_env ...
INTEGER,
INTENT(in)
:: ib ...

SUBROUTINEepr_g_soo(epr_env, current_env, qs_env, ib)

Calculates g_soo (soft part only for now)

Arguments:
:: epr_env ...
:: current_env ...
POINTER
:: qs_env ...
INTEGER,
INTENT(in)
:: ib ...

SUBROUTINEepr_g_zke(epr_env, qs_env)

Calculate zke part of the g tensor

Arguments:
:: epr_env ...
POINTER
:: qs_env ...

SUBROUTINEepr_ind_magnetic_field(epr_env, current_env, qs_env, ib)

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Arguments:
:: epr_env ...
:: current_env ...
POINTER
:: qs_env ...
INTEGER,
INTENT(in)
:: ib ...