class FileVMDPatch : public feasst::FileVMD

Print a vmd script to view an xyz file via command “vmd -e file.vmd”

Make a patch by inscribing sphere of radius r2 inside bead of radius r1=sig. The distance between center of sphere and bead is given by “d.” For given patch angle, use law of cosines to derive r2 via constraint r1 + eps = r2 + d, where eps is small, to avoid clipping.

class PrinterXYZPatch : public feasst::LoopConfigOneBody
class FileXYZPatch

Similar to FileXYZ, except for patches.


  • group_index: print the coordinates of this group index only (default: 0).

  • append: append file output if set to true. Do not append if false (default: “false”).