Documentation for module gle_system_dynamics

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source: gle_system_dynamics.F
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public Subroutines/Functions:

SUBROUTINE
gle_cholesky_stab (sst, s, n)
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SUBROUTINE
gle_matrix_exp (m, n, j, k, em)
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SUBROUTINEgle_cholesky_stab(sst, s, n)

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Arguments:
REAL(dp),
INTENT(in)
:: sst(n,n) ...
REAL(dp),
INTENT(out)
:: s(n,n) ...
INTEGER,
INTENT(in)
:: n ...

SUBROUTINEgle_matrix_exp(m, n, j, k, em)

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Arguments:
REAL(dp),
INTENT(in)
:: m(n,n) ...
INTEGER,
INTENT(in)
:: n ...
INTEGER,
INTENT(in)
:: j ...
INTEGER,
INTENT(in)
:: k ...
REAL(dp),
INTENT(out)
:: em(n,n) ...

SUBROUTINEgle_particles(gle, molecule_kind_set, molecule_set, particle_set, local_molecules, group, shell_adiabatic, shell_particle_set, core_particle_set, vel, shell_vel, core_vel)

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Arguments:
TYPE(gle_type),
POINTER
:: gle ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: molecule_set(:) ...
POINTER
:: particle_set(:) ...
POINTER
:: local_molecules ...
INTEGER,
INTENT(in)
:: group ...
LOGICAL,
INTENT(in),
OPTIONAL
:: shell_adiabatic ...
OPTIONAL, POINTER
:: shell_particle_set(:) ...
OPTIONAL, POINTER
:: core_particle_set(:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: shell_vel(:,:) ...
REAL(dp),
INTENT(inout),
OPTIONAL
:: core_vel(:,:) ...

SUBROUTINEinitialize_gle_part(thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, gle, gle_section, gci, save_mem)

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Arguments:
POINTER
:: thermostat_info ...
POINTER
:: simpar ...
POINTER
:: local_molecules ...
POINTER
:: molecule(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: para_env ...
TYPE(gle_type),
POINTER
:: gle ...
POINTER
:: gle_section ...
POINTER
:: gci ...
LOGICAL,
INTENT(in)
:: save_mem ...

SUBROUTINErestart_gle(gle, gle_section, save_mem, restart)

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Arguments:
TYPE(gle_type),
POINTER
:: gle ...
POINTER
:: gle_section ...
LOGICAL,
INTENT(in)
:: save_mem ...
LOGICAL,
INTENT(out)
:: restart ...