
    M]f                     2    d dl Zd dlmZ d Zd Zd Zd ZdS )    Nnormc                 v    |                                  dd          }t          j        d |D                       S )N   c                 ,    g | ]}t          |          S  )float).0xs     ;/home/fc/didattica/corsi/MetCiC/lezioni/gas_rari/gasrari.py
<listcomp>zcoordinate.<locals>.<listcomp>   s    ***!U1XX***    )splitnparray)llss     r   
coordinater      s6    wwyy}B8**r***+++r   c                     d}t          | dz   d          5 }|D ]-}||v r't          |                                d                   }.	 d d d            n# 1 swxY w Y   |S )N Total Energy              = z.outr   )openr	   r   )simbolomatchflineen_Hes        r   energyr      s    
)E	gfnc	"	" -a 	- 	-D}}DJJLLO,,	-- - - - - - - - - - - - - - - Ls   1AAAc                     d}g }t          | dz   d          5 }|D ]@}||v r:|                    t          |                                d                              A	 d d d            n# 1 swxY w Y   |S )Nr   2.outr   r   )r   appendr	   r   )r   r   en2r   r   s        r   energy_2r$      s    
)E
C	ggos	#	# 3q 	3 	3D}}

5a11222	33 3 3 3 3 3 3 3 3 3 3 3 3 3 3 Js   AA))A-0A-c                 X   g }t          | dz   d          5 }|D ]N}|                                 |                                v r$t          |          }|                    |           O	 d d d            n# 1 swxY w Y   d t          |dd d         |dd d                   D             S )Nr!   r   c                 8    g | ]\  }}t          ||z
            S r   r   )r
   r   ys      r   r   zdistanze.<locals>.<listcomp>!   s&    AAA#!AD1IIAAAr   r      r   )r   upperr   r   r"   zip)symcoordsr   r   q2s        r   distanzer.      s    F	c'k3		 "1 	" 	"Dyy{{djjll**d##b!!!		"" " " " " " " " " " " " " " " BAVADqD\6!$Q$<!@!@AAAAs   AA55A9<A9)numpyr   numpy.linalgr   r   r   r$   r.   r   r   r   <module>r1      sn             , , ,    B B B B Br   