Section COLVAR

• This section specifies the nature of the collective variables.

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / COMBINE_COLVAR / COLVAR

• This section can be repeated.

• Subsections

  • ACID_HYDRONIUM_DISTANCE
  • ACID_HYDRONIUM_SHELL
  • ANGLE
  • ANGLE_PLANE_PLANE
  • BOND_ROTATION
  • COLVAR_FUNC_INFO
  • CONDITIONED_DISTANCE
  • COORDINATION
  • DISTANCE
  • DISTANCE_FUNCTION
  • DISTANCE_POINT_PLANE
  • GYRATION_RADIUS
  • HBP
  • HYDRONIUM_DISTANCE
  • HYDRONIUM_SHELL
  • POPULATION
  • PRINT
  • QPARM
  • RING_PUCKERING
  • RMSD
  • TORSION
  • U
  • WC
  • XYZ_DIAG
  • XYZ_OUTERDIAG

• Keywords

  • none