newmen/versatile-diamond

---
system:
  size_x: 20   # number of atoms
  size_y: 20   # number of atoms
  size_z: 5    # high of surface
  time: 0.001   # seconds
  behavior: tor   # (tor|plane)

progress:
  step: 0.00001   # seconds

integral:
  step: 0.00005   # seconds
  atom_types: []   # list of integer numbers which are coma separated

# Available atom types:
<% atom_types.each do |index, label| %>
# <%= index.to_s.rjust(3) %>:   <%= label %>
<% end %>

# ------------------------------------------
# There are several possible formats for output the volume of simulating surface to
# file. Several such formats can be used at one time. Each such format requires the
# `detector` parameter which selects atoms of surface which must be saved to file.
# The `detector` parameter can receive `surf` or `all` value. The `surf` value means
# "save just surface atoms" and `all` value means "save all atoms which are in
# simulating system"

xyz:
  step: 0.001   # seconds
  detector: surf   # (surf|all)

# mol:
#   step: 0.001   # seconds
#   detector: surf   # (surf|all)

# sdf:
#   step: 0.001   # seconds
#   detector: surf   # (surf|all)