Allow .castep files corresponding to fixed lattice parameter MD runs … #11
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…for the undistorted case
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…for the undistorted case. Further details: The castep.castep file that is required for the undistorted case is assumed to be a standard CASTEP geometry relaxation (allowing cell vectors to change). However if instead a .castep file is supplied where cell vectors are fixed (for example a final run after having done a grid-based geometry optimization) the .castep file is not read properly because the 'Unit Cell' information is only printed out once to the .castep file (near the start). This is a fix for that.