The LAMP Application

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lamp_mac/ATOMS/

xdatcar.pro


top xdatcar

result = xdatcar(file_out, real=real)

******* ******* ** User callable ** ** The call is e.g. w1=xdatcar(/real, 'filename') ** ** files read automatically are CONTCAR and XDATCAR ** XDATCAR contains nframes ** CONTCAR gives scale factor, cell matrix, numbers of particles ** 'filename' will contain list of coordinates for python/xMoldyn ** keyword /real used to write continuous real (Cartesian) coords ** to workspace, default is fractional

Parameters

file_out

Keywords

real

File attributes

Modification date: Tue Oct 1 14:45:53 2013
Lines: 105