Continuation lines

If your input lines get very long then editing them using vi and other such text editors becomes a massive pain in the arse.
We at PLUMED are aware of this fact and thus have provided a way of doing line continuations so as to make your life that much easier - aren't we kind? Well no not really, we have to use this code too. Anyway, you can do continuations by using the "..." syntax as this makes this:

Click on the labels of the actions for more information on what each action computes

contract shortcuts

dist: DISTANCES 
ATOMS1
the pairs of atoms that you would like to calculate the angles for. 
=1,300 
ATOMS2
the pairs of atoms that you would like to calculate the angles for. 
=1,400 
ATOMS3
the pairs of atoms that you would like to calculate the angles for. 
=1,500 The DISTANCES action with label dist calculates a single scalar value

dist_vatom1: CENTER 
ATOMS
the group of atoms that you are calculating the Gyration Tensor for. 
=1,300 The CENTER action with label dist_vatom1 calculates the following quantities:

 Quantity   
 Description  
dist_vatom1.x
 (see DISTANCES)
equivalent to this:

 Click on the labels of the actions for more information on what each action computes 
contract shortcuts




dist: DISTANCES ...
   
   # we can also insert comments here 
   
ATOMS1
the pairs of atoms that you would like to calculate the angles for. 
=1,300 
   # multiple kewords per line are allowed 
   
ATOMS2
the pairs of atoms that you would like to calculate the angles for. 
=1,400 
ATOMS3
the pairs of atoms that you would like to calculate the angles for. 
=1,500 
   #empty lines are also allowed 
...The DISTANCES action with label dist calculates a single scalar value


Notice that the closing ... is followed by the word DISTANCES. This is optional, but might be useful to find more easily which is the matching start of the statement. The following is equally correct 
 Click on the labels of the actions for more information on what each action computes 
contract shortcuts




dist: DISTANCES ...
   # we can also insert comments here 
   
ATOMS1
the pairs of atoms that you would like to calculate the angles for. 
=1,300 
   # multiple kewords per line are allowed 
   
ATOMS2
the pairs of atoms that you would like to calculate the angles for. 
=1,400 
ATOMS3
the pairs of atoms that you would like to calculate the angles for. 
=1,500 
   #empty lines are also allowed 
...The DISTANCES action with label dist calculates a single scalar value


Notice that PLUMED makes a check that the word following the closing ... is actually identical to the first word in the line with the first .... If not, it will throw an error. Also notice that you might put more than one word in the first line. E.g. 
 Click on the labels of the actions for more information on what each action computes 
contract shortcuts




dist: DISTANCES ...
   # we can also insert comments here 
   
ATOMS1
the pairs of atoms that you would like to calculate the angles for. 
=1,300 
   # multiple kewords per line are allowed 
   
ATOMS2
the pairs of atoms that you would like to calculate the angles for. 
=1,400 
ATOMS3
the pairs of atoms that you would like to calculate the angles for. 
=1,500 
   #empty lines are also allowed 
...The DISTANCES action with label dist calculates a single scalar value


 or, equivalently, 
 Click on the labels of the actions for more information on what each action computes 
contract shortcuts




dist: DISTANCES ...
   # we can also insert comments here 
   
ATOMS1
the pairs of atoms that you would like to calculate the angles for. 
=1,300 
   # multiple kewords per line are allowed 
   
ATOMS2
the pairs of atoms that you would like to calculate the angles for. 
=1,400 
ATOMS3
the pairs of atoms that you would like to calculate the angles for. 
=1,500 
   #empty lines are also allowed 
...The DISTANCES action with label dist calculates a single scalar value


 






  


    
   
    
     1.8.17