ABINIT Input Maker.pptVIP

ABINIT INPUT MAKER Summary The Program Technical Advantages Implementation The XML Files The XML file (continued) The XML file (continued) An example of XML file Get Value Abinit Input Maker Validation of the values Adding a new section Conclusion * By Simon Pesant and BenjaminTardif 29/01/2007 A brief presentation of the program and his advantage The implementation of Abinit Input Maker The XML file format The validation of the values Addition of another section in Abinit Input Maker Conclusion Abinit Input Maker is a graphical interface that produces input files for Abinit. It helps to structure the different variables in the input file It facilitates the creation of the Abinit input file (especially for beginner) It reduces the possibility of errors in the input files (variable name and values) The way it works was designed to be : Easy to be updated with new variables Versatile, because it can be used with other codes The program is coded in Python which is platform independent. It has a parser that reads XML files. The XML files contain the information about the different variables in Abinit (or other codes) After, Abinit Input Maker creates a graphical interface which follows the structure given by the XML files. When all the values of the variables have been given, you can directly create the input file for Abinit. The XML parser of Abinit Input Maker recognizes 7 keywords : SECTION : Indicate the beginning of a new section KEYBOARDENTRY : Get variable value from the keyboard (string, int, float, ...) CHOICE : The user must choose between different options DECISION : The result of a CHOICE keyword MOUSEENTRY : Click on the value with the mouse OPTION : The options of a MOUSEENTRY DIRECTENTRY : Define the value of a variable without asking the users, based on the answer given previously For each keywords, several variables can be defined : SECTION : -sectiontitle (name of the section) CHOICE : -In