Documentation for module pint_types

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source: pint_types.F
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public Types:

staging_env_type
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piglet_therm_type
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normalmode_env_type
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pile_therm_type
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pint_env_type
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Parameters:

INTEGER
:: e_conserved_id = 1
INTEGER
:: e_kin_thermo_id = 3
INTEGER
:: e_kin_virial_id = 4
INTEGER
:: e_num_ids = 4
INTEGER
:: e_potential_id = 2
INTEGER
:: thermostat_gle = 2
INTEGER
:: thermostat_none = 0
INTEGER
:: thermostat_nose = 1
INTEGER
:: thermostat_piglet = 4
INTEGER
:: thermostat_pile = 3

public Types:

TYPE :: normalmode_env_type

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INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
INTEGER
:: p ...
REAL(dp)
:: q_bead ...
REAL(dp)
:: q_centroid ...
REAL(dp)
:: modefactor ...
REAL(dp)
:: harm ...
REAL(dp),
DIMENSION(:,:), POINTER :: x2u ...
REAL(dp),
DIMENSION(:,:), POINTER :: u2x ...
REAL(dp),
DIMENSION(:), POINTER :: lambda ...

TYPE :: piglet_therm_type

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INTEGER
:: ref_count ...
INTEGER
:: ndim ...
INTEGER
:: p ...
INTEGER
:: nsp1 ...
REAL(dp)
:: thermostat_energy ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: a_mat ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: c_mat ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: gle_s ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: gle_t ...
REAL(dp),
DIMENSION(:,:), POINTER :: smalls ...
REAL(dp),
DIMENSION(:,:), POINTER :: temp1 ...
REAL(dp),
DIMENSION(:), POINTER :: temp2 ...
REAL(dp),
DIMENSION(:,:), POINTER :: sqrtmass ...
POINTER :: gaussian_rng_stream ...

TYPE :: pile_therm_type

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INTEGER
:: ref_count ...
REAL(dp)
:: lamb ...
REAL(dp)
:: tau ...
REAL(dp)
:: thermostat_energy ...
REAL(dp),
DIMENSION(:), POINTER :: c1 ...
REAL(dp),
DIMENSION(:), POINTER :: c2 ...
REAL(dp),
DIMENSION(:), POINTER :: g_fric ...
REAL(dp),
DIMENSION(:,:), POINTER :: massfact ...
POINTER :: gaussian_rng_stream ...

TYPE :: pint_env_type

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INTEGER
:: ref_count ...
INTEGER
:: id_nr ...
INTEGER
:: p ...
INTEGER
:: nnos ...
INTEGER
:: nrespa ...
INTEGER
:: iter ...
INTEGER
:: ndim ...
INTEGER
:: transform ...
INTEGER
:: first_step ...
INTEGER
:: last_step ...
INTEGER
:: num_steps ...
INTEGER
:: first_propagated_mode ...
INTEGER
:: pimd_thermostat ...
INTEGER
:: harm_integrator ...
INTEGER
:: thermostat_rng_seed ...
REAL(dp)
:: t_tol ...
REAL(dp)
:: v_tol ...
REAL(dp)
:: kt ...
REAL(dp)
:: beta ...
REAL(dp)
:: dt ...
REAL(dp)
:: e_gle ...
REAL(dp)
:: e_pile ...
REAL(dp)
:: e_piglet ...
REAL(dp)
:: e_pot_h ...
REAL(dp)
:: e_kin_beads ...
REAL(dp)
:: e_pot_t ...
REAL(dp)
:: e_kin_t ...
REAL(dp)
:: t ...
REAL(dp)
:: time_per_step ...
REAL(dp)
:: link_action ...
REAL(dp)
:: pot_action ...
POINTER :: logger ...
POINTER :: replicas ...
POINTER :: input ...
POINTER :: staging_env ...
POINTER :: normalmode_env ...
POINTER :: randomg ...
TYPE(gle_type),
POINTER :: gle ...
REAL(dp),
DIMENSION(E_NUM_IDS) :: energy ...
REAL(dp),
DIMENSION(:), POINTER :: mass ...
REAL(dp),
DIMENSION(:), POINTER :: e_pot_bead ...
REAL(dp),
DIMENSION(:,:), POINTER :: x ...
REAL(dp),
DIMENSION(:,:), POINTER :: v ...
REAL(dp),
DIMENSION(:,:), POINTER :: f ...
REAL(dp),
DIMENSION(:,:), POINTER :: mass_beads ...
REAL(dp),
DIMENSION(:,:), POINTER :: mass_fict ...
REAL(dp),
DIMENSION(:,:), POINTER :: ux ...
REAL(dp),
DIMENSION(:,:), POINTER :: ux_t ...
REAL(dp),
DIMENSION(:,:), POINTER :: uv ...
REAL(dp),
DIMENSION(:,:), POINTER :: uv_t ...
REAL(dp),
DIMENSION(:,:), POINTER :: uv_new ...
REAL(dp),
DIMENSION(:,:), POINTER :: uf ...
REAL(dp),
DIMENSION(:,:), POINTER :: uf_h ...
REAL(dp),
DIMENSION(:,:), POINTER :: external_f ...
REAL(dp),
DIMENSION(:), POINTER :: centroid ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tx ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tv ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tv_t ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tv_old ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tv_new ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: tf ...
REAL(dp),
DIMENSION(:), POINTER :: q ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_ndim ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_natom ...
REAL(dp),
DIMENSION(:), POINTER :: iwsinex ...
REAL(dp),
DIMENSION(:), POINTER :: wsinex ...
REAL(dp),
DIMENSION(:), POINTER :: cosex ...
POINTER :: pile_therm ...
POINTER :: piglet_therm ...
POINTER :: propagator ...

TYPE :: staging_env_type

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INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
INTEGER
:: nseg ...
INTEGER
:: j ...
INTEGER
:: p ...
REAL(dp)
:: w_p ...
REAL(dp)
:: w_j ...
REAL(dp)
:: q_stage ...
REAL(dp)
:: q_end ...


private Parameters/Types:

private Types:

TYPE :: pint_propagator_type

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INTEGER
:: prop_kind ...
REAL(dp)
:: temp_phys2sim ...
REAL(dp)
:: temp_sim2phys ...
REAL(dp)
:: physpotscale ...