The Computational Materials Repository

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8 Contents
Contents1 Introduction 112 Introduction and usage of CMR 172.1 Working with CMR . . . . . . . . . . . . . . . . . . . . . . . . . 182.2 Step by Step . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 202.3 PHP/HTML Web Interface . . . . . . . . . . . . . . . . . . . . . 272.4 Querying and Analysis . . . . . . . . . . . . . . . . . . . . . . . . 342.5 The Command Line Interface . . . . . . . . . . . . . . . . . . . . 382.6 Modifying Data in the Database . . . . . . . . . . . . . . . . . . 402.7 Groups . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 432.8 What is actually stored in a db-file? . . . . . . . . . . . . . . . . 442.9 Advanced Task . . . . . . . . . . . . . . . . . . . . . . . . . . . . 472.9.1 Publishing results with CMR . . . . . . . . . . . . . . . . 472.9.2 Using a Mapping . . . . . . . . . . . . . . . . . . . . . . . 472.9.3 Supporting a new file format . . . . . . . . . . . . . . . . 472.9.3.1 Step 1: create a converter . . . . . . . . . . . . . 472.9.3.2 Step 2: create a CMR schema . . . . . . . . . . 492.9.3.3 Step 3: declare the plug-ins . . . . . . . . . . . . 492.9.3.4 Step 4: set environment variables . . . . . . . . 512.9.3.5 Step 5: create an XML schema . . . . . . . . . . 513 Computational Materials Repository 553.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 553.2 CMR Challenges . . . . . . . . . . . . . . . . . . . . . . . . . . . 563.3 System Components and Processes . . . . . . . . . . . . . . . . . 573.3.1 User Interfaces . . . . . . . . . . . . . . . . . . . . . . . . 593.3.1.1 Command line interface (CLI) . . . . . . . . . . 593.3.1.2 Python User Interface (PUI) . . . . . . . . . . . 603.3.1.3 PHP/HTML User Interface (PHPUI) . . . . . . 613.3.1.4 Silo Framework, and the SiGUI plug-in . . . . . 623.3.1.4.1 SiGUI, a silo plug-in . . . . . . . . . . . 633.3.2 Repositories . . . . . . . . . . . . . . . . . . . . . . . . . . 643.3.2.1 db-file repository . . . . . . . . . . . . . . . . . . 643.3.2.2 local repository . . . . . . . . . . . . . . . . . . . 65
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90 BIBLIOGRAPHY[11] Anubhav Jain, G
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92 BIBLIOGRAPHY[35] XML Technology.
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