QMCblip
latest

QMCblip

  • Installation
  • Installing Dependencies
  • CHAMP Calculator
  • FLARE
  • Quickly setup
  • Creating Wavefunction

Examples

  • Quicksim
    • C2 Quick Simulation
    • Thiophene Quick Simulation
  • FLARE++
    • Thiophene 300K
    • Thiophene 300K Excited State Geometry
  • GAMESS
    • C2 with GAMESS

API

  • qmcblip package
QMCblip
  • »
  • Quicksim
  • Edit on GitHub

Quicksim

Quicksim

  • C2 Quick Simulation
  • Thiophene Quick Simulation

FLARE++

FLARE++

  • Thiophene 300K
  • Thiophene 300K Excited State Geometry

GAMESS

GAMESS

  • C2 with GAMESS
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