Go to the source code of this file.
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module | pint_normalmode |
| Data type and methods dealing with PI calcs in normal mode coords.
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subroutine, public | pint_normalmode::normalmode_env_create (normalmode_env, normalmode_section, p, kt, propagator) |
| creates the data needed for a normal mode transformation
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pure subroutine, public | pint_normalmode::normalmode_release (normalmode_env) |
| releases the normalmode environment
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pure subroutine, public | pint_normalmode::normalmode_init_masses (normalmode_env, mass, mass_beads, mass_fict, q) |
| initializes the masses and fictitious masses compatible with the normal mode information
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subroutine, public | pint_normalmode::normalmode_x2u (normalmode_env, ux, x) |
| Transforms from the x into the u variables using a normal mode transformation for the positions.
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subroutine, public | pint_normalmode::normalmode_u2x (normalmode_env, ux, x) |
| transform from the u variable to the x (back normal mode transformation for the positions)
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subroutine, public | pint_normalmode::normalmode_f2uf (normalmode_env, uf, f) |
| normalmode transformation for the forces
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pure subroutine, public | pint_normalmode::normalmode_calc_uf_h (normalmode_env, mass_beads, ux, uf_h, e_h) |
| calculates the harmonic force in the normal mode basis
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