(git:c5411e0)
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defines types for HILLS More...
Data Fields | |
logical | restart |
logical | slow_growth |
logical | wtcontrol |
real(kind=dp) | ww |
real(kind=dp) | min_disp |
real(kind=dp) | energy |
integer | n_hills |
integer | nt_hills |
integer | min_nt_hills |
integer | old_hill_number |
integer | old_hill_step |
real(kind=dp), dimension(:, :), pointer | ss_history |
real(kind=dp), dimension(:, :), pointer | delta_s_history |
real(kind=dp), dimension(:), pointer | ww_history |
real(kind=dp), dimension(:), pointer | invdt_history |
real(kind=dp) | tail_cutoff |
integer | p_exp |
integer | q_exp |
defines types for HILLS
Definition at line 40 of file metadynamics_types.F.
logical metadynamics_types::hills_env_type::restart |
Definition at line 41 of file metadynamics_types.F.
logical metadynamics_types::hills_env_type::slow_growth |
Definition at line 41 of file metadynamics_types.F.
logical metadynamics_types::hills_env_type::wtcontrol |
Definition at line 41 of file metadynamics_types.F.
real(kind=dp) metadynamics_types::hills_env_type::ww |
Definition at line 43 of file metadynamics_types.F.
real(kind=dp) metadynamics_types::hills_env_type::min_disp |
Definition at line 43 of file metadynamics_types.F.
real(kind=dp) metadynamics_types::hills_env_type::energy |
Definition at line 43 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::n_hills |
Definition at line 44 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::nt_hills |
Definition at line 44 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::min_nt_hills |
Definition at line 44 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::old_hill_number |
Definition at line 45 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::old_hill_step |
Definition at line 45 of file metadynamics_types.F.
real(kind=dp), dimension(:, :), pointer metadynamics_types::hills_env_type::ss_history |
Definition at line 47 of file metadynamics_types.F.
real(kind=dp), dimension(:, :), pointer metadynamics_types::hills_env_type::delta_s_history |
Definition at line 48 of file metadynamics_types.F.
real(kind=dp), dimension(:), pointer metadynamics_types::hills_env_type::ww_history |
Definition at line 49 of file metadynamics_types.F.
real(kind=dp), dimension(:), pointer metadynamics_types::hills_env_type::invdt_history |
Definition at line 50 of file metadynamics_types.F.
real(kind=dp) metadynamics_types::hills_env_type::tail_cutoff |
Definition at line 52 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::p_exp |
Definition at line 53 of file metadynamics_types.F.
integer metadynamics_types::hills_env_type::q_exp |
Definition at line 53 of file metadynamics_types.F.