Documentation for module barostat_utils

Barostat utils

source: barostat_utils.F
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public Subroutines/Functions:

Calculates kinetic energy and potential of barostat
Prints status of barostat during an MD run

SUBROUTINEget_baro_energies(cell, simpar, npt, baro_kin, baro_pot)

Calculates kinetic energy and potential of barostat

Arguments:
TYPE(cell_type),
POINTER
:: cell ...
INTENT(in)
:: simpar ...
INTENT(in)
:: npt(:,:) ...
REAL(dp),
INTENT(out)
:: baro_kin ...
REAL(dp),
INTENT(out)
:: baro_pot ...