PLUMED-NEST

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

p2: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=2 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p2 calculates the following quantities:
 Quantity   
 Description  
p2.x
the x-component of the atom position
p2.y
the y-component of the atom position
p2.z
the z-component of the atom position
p2.a
the normalized projection on the first lattice vector of the atom position
p2.b
the normalized projection on the second lattice vector of the atom position
p2.c
the normalized projection on the third lattice vector of the atom positionp3: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=3 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p3 calculates the following quantities:
 Quantity   
 Description  
p3.x
the x-component of the atom position
p3.y
the y-component of the atom position
p3.z
the z-component of the atom position
p3.a
the normalized projection on the first lattice vector of the atom position
p3.b
the normalized projection on the second lattice vector of the atom position
p3.c
the normalized projection on the third lattice vector of the atom positionp7: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=7 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p7 calculates the following quantities:
 Quantity   
 Description  
p7.x
the x-component of the atom position
p7.y
the y-component of the atom position
p7.z
the z-component of the atom position
p7.a
the normalized projection on the first lattice vector of the atom position
p7.b
the normalized projection on the second lattice vector of the atom position
p7.c
the normalized projection on the third lattice vector of the atom positionp8: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=8 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p8 calculates the following quantities:
 Quantity   
 Description  
p8.x
the x-component of the atom position
p8.y
the y-component of the atom position
p8.z
the z-component of the atom position
p8.a
the normalized projection on the first lattice vector of the atom position
p8.b
the normalized projection on the second lattice vector of the atom position
p8.c
the normalized projection on the third lattice vector of the atom positionp9: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=9 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p9 calculates the following quantities:
 Quantity   
 Description  
p9.x
the x-component of the atom position
p9.y
the y-component of the atom position
p9.z
the z-component of the atom position
p9.a
the normalized projection on the first lattice vector of the atom position
p9.b
the normalized projection on the second lattice vector of the atom position
p9.c
the normalized projection on the third lattice vector of the atom positionp10: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=10 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p10 calculates the following quantities:
 Quantity   
 Description  
p10.x
the x-component of the atom position
p10.y
the y-component of the atom position
p10.z
the z-component of the atom position
p10.a
the normalized projection on the first lattice vector of the atom position
p10.b
the normalized projection on the second lattice vector of the atom position
p10.c
the normalized projection on the third lattice vector of the atom positionp11: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=11 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p11 calculates the following quantities:
 Quantity   
 Description  
p11.x
the x-component of the atom position
p11.y
the y-component of the atom position
p11.z
the z-component of the atom position
p11.a
the normalized projection on the first lattice vector of the atom position
p11.b
the normalized projection on the second lattice vector of the atom position
p11.c
the normalized projection on the third lattice vector of the atom positionp17: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=17 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p17 calculates the following quantities:
 Quantity   
 Description  
p17.x
the x-component of the atom position
p17.y
the y-component of the atom position
p17.z
the z-component of the atom position
p17.a
the normalized projection on the first lattice vector of the atom position
p17.b
the normalized projection on the second lattice vector of the atom position
p17.c
the normalized projection on the third lattice vector of the atom positionp21: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=21 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p21 calculates the following quantities:
 Quantity   
 Description  
p21.x
the x-component of the atom position
p21.y
the y-component of the atom position
p21.z
the z-component of the atom position
p21.a
the normalized projection on the first lattice vector of the atom position
p21.b
the normalized projection on the second lattice vector of the atom position
p21.c
the normalized projection on the third lattice vector of the atom positionp22: POSITIONCalculate the components of the position of an atom or atoms. More details ATOMthe atom number=22 SCALED_COMPONENTS calculate the a, b and c scaled components of the position separately and store them as label
The POSITION action with label p22 calculates the following quantities:
 Quantity   
 Description  
p22.x
the x-component of the atom position
p22.y
the y-component of the atom position
p22.z
the z-component of the atom position
p22.a
the normalized projection on the first lattice vector of the atom position
p22.b
the normalized projection on the second lattice vector of the atom position
p22.c
the normalized projection on the third lattice vector of the atom position