manual   quickstart   instguide   update   basis
  Contents  

1 Preface

The intention of this quickstart manual is to get you started quickly. Most input is explained using simple examples. Default values are used as much as possible to make the inputs very simple. Naturally, this is by no means an exhaustive description of MOLPRO. A more systematic and complete explanation of all features of MOLPRO can be found in the reference manual. We strongly recommend that you read the introductory chapters of the reference manual once you have gained a basic feeling how things are done with MOLPRO. In particular, the first chapters of the reference manual explain in more detail the use of symmetry, and the data structures (files and records) in MOLPRO.