Chimie Théorique » QMX

translation = {

'Tip for status box ...':

"""Show information about selected atoms (type, position, bondlengths and angles).  Use left mouse button to select atoms - possibly combined with the [ctrl] key.""",

'Help for plot ...':

"""Symbols:

<c>e</c>:\t\t\ttotal energy

<c>epot</c>:\t\tpotential energy

<c>ekin</c>:\t\tkinetic energy

<c>fmax</c>:\t\tmaximum force

<c>fave</c>:\t\taverage force

<c>R[n,0-2]</c>:\t\tposition of atom number <c>n</c> 

<c>d(n<sub>1</sub>,n<sub>2</sub>)</c>:\t\tdistance between two atoms n1 and n2

<c>i</c>:\t\t\tcurrent image number

<c>E[i]</c>:\t\t\tenergy of image number <c>i</c>

<c>F[n,0-2]</c>:\t\tforce on atom number <c>n</c>

<c>M[n]</c>:\t\tmagnetic moment of atom number <c>n</c> 

<c>A[0-2,0-2]</c>:\tunit-cell basis vectors 

<c>s</c>:\t\t\tpath length

<c>a(n1,n2,n3)</c>:\tangle between atoms n1, n2 and n3, centered on n2

<c>dih(n1,n2,n3,n4)</c>:\tdihedral angle between n1, n2, n3, and n4

<c>T</c>:\t\t\tTemperature (K)""",

'Help for slice ...':

"""Use Python slice syntax: "start:stop:step" or "start:stop":

<c>2:5</c>\tsecond, third and fourth

<c>:3</c>\tfirst three

<c>-3:</c>\tlast three

<c>::3</c>\tevery third

<c>0</c>\tfirst

<c>6</c>\tseventh

<c>-1</c>\tlast

"""

}