MOLCAS manual:
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4.1 Introduction
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III. Short Guide to MOLCAS
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III. Short Guide to MOLCAS
4. Quickstart Guide for
MOLCAS
Subsections
4.1 Introduction
4.2
MOLCAS
Environment Setup
4.3 Customization of
MOLCAS
Execution
4.4
MOLCAS
Command-Line Help System
4.5 Input Structure and EMIL Commands
4.6 Basic Examples
4.6.1 Simple Calculation on Water
4.6.2 Geometry Optimization
4.6.3 GASSCF method
4.6.4 Solvation Effects
4.7 Analyzing Results: Output Files and the
LUSCUS
Program
4.7.1 LUSCUS: Grid and Geometry Visualization
Next:
4.1 Introduction
Up:
III. Short Guide to MOLCAS
Previous:
III. Short Guide to MOLCAS
