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Periodic Image Half Cell Tie Token Tool

One-dimensional minimum-image displacement under an explicit exact-half-cell convention.

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Description

Return nearest periodic displacement with an explicit half-cell tie.

Numerical grids and sampled modes require explicit coordinate, boundary and sign conventions. A staggered location, minimum-image gap or Nyquist label is one component of a discretization rather than a complete field solve or unique physical interpretation.

Return nearest periodic displacement with an explicit half-cell tie.

When to use this tool

Use Periodic Image Half Cell Tie Token when checking the stated grid-coordinate, periodic-image or sampled-mode convention.

How to use the tool and how it works

  1. Enter displacement, cellLength, tiePolicy. Use the units and conventions below.
  2. Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
  3. Read nearestDisplacement, tied. Inspect tied before interpreting the associated values.

Return nearest periodic displacement with an explicit half-cell tie. Require cellLength > 0 and tiePolicy positive or negative; wrap displacement into a cell, select shortest signed value and use policy at exact half length.1

Input fieldMeaning and unitsAccepted input
displacementDisplacementRequired. Finite number.
cellLengthCell LengthRequired. Finite number; strictly above 0.
tiePolicyTie PolicyRequired. Text; one of "positive", "negative"; maximum UTF-16 length 8192.
Output fieldInterpretationReturned shape
nearestDisplacementNearest DisplacementRequired. Finite number.
tiedTiedRequired. Boolean.
json
{
  "input": {
    "displacement": 5,
    "cellLength": 10,
    "tiePolicy": "negative"
  },
  "output": {
    "nearestDisplacement": -5,
    "tied": true
  }
}

Limitations and assumptions

  • One axis and exact equality are used; this is not a triclinic nearest-image calculation or tolerance-based tie test.
  • Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
  • Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.

Alternative or Complementary methods

Use the complete mesh, transform convention and boundary conditions for a consistent numerical simulation or physical interpretation.

References

  1. Calculation and input contract: computational-chemistry/periodic-image-half-cell-tie-token — tool.io

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