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MolSSI Driver Interface

Getting Started
User Guide
API Documentation
Developer Guide
- MolSSI

GitHub
Twitter

Getting Started
User Guide
API Documentation
Developer Guide
MolSSI

GitHub
Twitter

Section Navigation

MDI Standard
- Simulation Control and Node Management
  - @
  - @COORDS
  - @DEFAULT
  - @FORCES
  - @INIT_MC
  - @INIT_MD
  - @INIT_OPTG
  - @PRE-FORCES
  - EXIT
- Data Exchange
  - CDENSITY
  - CELL
  - CELL_DISPL
  - CHARGES
  - CLATTICE
  - COORDS
  - CPOTENTIAL
  - DENSITY
  - DIMENSIONS
  - ELECT_MULT
  - ELEMENTS
  - ENERGY
  - FORCES
  - KE
  - KE_ELEC
  - KE_NUC
  - LABELS
  - LATTICE
  - LATTICE_FORCES
  - MASSES
  - MONKHORST-PACK_NPOINTS
  - MONKHORST-PACK_SHIFT
  - NATOMS
  - NDENSITY
  - NLATTICE
  - NPOTENTIAL
  - PE
  - PE_ELEC
  - PE_NUC
  - POTENTIAL
  - SPIN_POLARIZATION
  - STRESS
  - TOTCHARGE
  - VELOCITES
- Information
  - NAME
  - VERSION
- MDI Standard by Tag

API Documentation
MDI Standard by Tag
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MDI Standard Tags: Monte Carlo#

@INIT_MC

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MDI Standard Tags: Molecular Dynamics

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MDI Standard Tags: Plane Wave DFT

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