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Table of Contents
Preface; Acknowledgments; Contents; Symbols and Abbreviations; 1 Fortran
Advanced Features; 1.1 Preliminary Concepts; 1.1.1 Standard Syntax; 1.1.2 Basic Definitions; 1.1.3 Statement Order; 1.1.4 Source File Format; 1.1.5 Programming Conventions; 1.1.6 Naming Identifiers; 1.2 Programming
Phases and Tools; 1.2.1 Planning the Logic; 1.2.2 Pseudocode Conventions; 1.2.3 Flowchart Conventions; 1.3 Structured Programming; 1.3.1 Sequence, Selection and Repetition; 1.3.2 Combining Structured Logic; 1.4 Control Constructs in Fortran; 1.4.1 IF Construct; 1.4.2 CASE Construct; 1.4.3 DO Construct.
1.4.4 REPEAT UNTIL1.4.5 Altering the DO Construct; 1.4.6 Branching; 1.5 Procedural/Modular Programming; 1.5.1 Structure of Program Units; 1.5.2 Subprograms; 1.5.3 Procedure Referencing and Arguments; 1.5.4 Modules; 1.6 Specification Part; 1.6.1 USE Statement; 1.6.2 IMPLICIT Declaration; 1.6.3 Declaration Construct; 1.6.4 Association and Scope; 1.7 Data Type Declaration; 1.7.1 Type Parameters; 1.7.2 Data Representation; 1.7.3 Intrinsic Data Types; 1.7.4 Numeric Data Types; 1.7.5 Non-Numeric Data Types; 1.7.6 Expressions, Operators and Operands; 1.7.7 Derived-Data Types; 1.7.8 Arrays.
1.8 Data Attributes1.8.1 PARAMETER Statement; 1.8.2 PUBLIC Versus PRIVATE; 1.8.3 SAVE and COMMON Attribute; 1.8.4 DATA Statement and Explicit Initialization; 1.8.5 INTENT and OPTIONAL Statement; 1.8.6 ALLOCATABLE, POINTER and TARGET; 1.8.7 CRAY Pointer; 1.8.8 Interface Block; 1.9 Input and Output Management; 1.9.1 Files, Records and Positions; 1.9.2 Connection Statements; 1.9.3 Data Transfer Statements; 1.9.4 File Positioning Statements; 1.9.5 INQUIRY Statement; 1.9.6 Data Format; 1.10 Summary of Accessing Files; 1.10.1 Sequential Formatted Access
Advancing Versus Non-advancing.
1.10.2 Sequential Access
Unformatted1.10.3 Direct Access
Formatted Versus Unformatted; 2 Introduction to Marc/Mentat; 2.1 MARC/MENTAT Interactions; 2.1.1 Mentat Commands; 2.1.2 MARC Solver Types; 2.1.3 Structure of the Installation Folder; 2.2 The Input File; 2.2.1 Grouped Structure; 2.2.2 Format Conventions; 2.2.3 Extended Precision Mode; 2.2.4 Modifying the Input File; 2.2.5 Table-Driven Input; 2.2.6 Items, Sets and Numbering; 2.3 Subroutines; 2.3.1 Activating Subroutines; 2.3.2 Structure of Subroutines; 2.3.3 Predefined Common Blocks of Marc; 2.4 Debugging; 2.4.1 Common Pitfalls.
2.4.2 Requesting Additional Information2.4.3 Activating the Debugging Mode; 2.4.4 Compiler Directives; 2.4.5 Controlling the Job Submission; 2.4.6 Using the Visual Studio IDE; 2.5 Miscellaneous Tools; 2.5.1 Procedure Files; 2.5.2 Python and Mentat; 2.5.3 C Programming Language; 3 Basic Examples; 3.1 Overview; 3.2 Examples; 3.2.1 FORCDT; 3.2.2 FORCEM; 3.2.3 WKSLP; 3.2.4 PLOTV; 3.2.5 HOOKLW and ORIENT2; 3.2.6 USDATA and UACTIVE; 3.2.7 SEPFOR and MOTION; 3.2.8 UINSTR; 3.2.9 UBREAKGLUE; 3.2.10 USHELL; 4 Advanced Examples; 4.1 Overview; 4.2 Examples; 4.2.1 USPRNG and UEDINC.
Advanced Features; 1.1 Preliminary Concepts; 1.1.1 Standard Syntax; 1.1.2 Basic Definitions; 1.1.3 Statement Order; 1.1.4 Source File Format; 1.1.5 Programming Conventions; 1.1.6 Naming Identifiers; 1.2 Programming
Phases and Tools; 1.2.1 Planning the Logic; 1.2.2 Pseudocode Conventions; 1.2.3 Flowchart Conventions; 1.3 Structured Programming; 1.3.1 Sequence, Selection and Repetition; 1.3.2 Combining Structured Logic; 1.4 Control Constructs in Fortran; 1.4.1 IF Construct; 1.4.2 CASE Construct; 1.4.3 DO Construct.
1.4.4 REPEAT UNTIL1.4.5 Altering the DO Construct; 1.4.6 Branching; 1.5 Procedural/Modular Programming; 1.5.1 Structure of Program Units; 1.5.2 Subprograms; 1.5.3 Procedure Referencing and Arguments; 1.5.4 Modules; 1.6 Specification Part; 1.6.1 USE Statement; 1.6.2 IMPLICIT Declaration; 1.6.3 Declaration Construct; 1.6.4 Association and Scope; 1.7 Data Type Declaration; 1.7.1 Type Parameters; 1.7.2 Data Representation; 1.7.3 Intrinsic Data Types; 1.7.4 Numeric Data Types; 1.7.5 Non-Numeric Data Types; 1.7.6 Expressions, Operators and Operands; 1.7.7 Derived-Data Types; 1.7.8 Arrays.
1.8 Data Attributes1.8.1 PARAMETER Statement; 1.8.2 PUBLIC Versus PRIVATE; 1.8.3 SAVE and COMMON Attribute; 1.8.4 DATA Statement and Explicit Initialization; 1.8.5 INTENT and OPTIONAL Statement; 1.8.6 ALLOCATABLE, POINTER and TARGET; 1.8.7 CRAY Pointer; 1.8.8 Interface Block; 1.9 Input and Output Management; 1.9.1 Files, Records and Positions; 1.9.2 Connection Statements; 1.9.3 Data Transfer Statements; 1.9.4 File Positioning Statements; 1.9.5 INQUIRY Statement; 1.9.6 Data Format; 1.10 Summary of Accessing Files; 1.10.1 Sequential Formatted Access
Advancing Versus Non-advancing.
1.10.2 Sequential Access
Unformatted1.10.3 Direct Access
Formatted Versus Unformatted; 2 Introduction to Marc/Mentat; 2.1 MARC/MENTAT Interactions; 2.1.1 Mentat Commands; 2.1.2 MARC Solver Types; 2.1.3 Structure of the Installation Folder; 2.2 The Input File; 2.2.1 Grouped Structure; 2.2.2 Format Conventions; 2.2.3 Extended Precision Mode; 2.2.4 Modifying the Input File; 2.2.5 Table-Driven Input; 2.2.6 Items, Sets and Numbering; 2.3 Subroutines; 2.3.1 Activating Subroutines; 2.3.2 Structure of Subroutines; 2.3.3 Predefined Common Blocks of Marc; 2.4 Debugging; 2.4.1 Common Pitfalls.
2.4.2 Requesting Additional Information2.4.3 Activating the Debugging Mode; 2.4.4 Compiler Directives; 2.4.5 Controlling the Job Submission; 2.4.6 Using the Visual Studio IDE; 2.5 Miscellaneous Tools; 2.5.1 Procedure Files; 2.5.2 Python and Mentat; 2.5.3 C Programming Language; 3 Basic Examples; 3.1 Overview; 3.2 Examples; 3.2.1 FORCDT; 3.2.2 FORCEM; 3.2.3 WKSLP; 3.2.4 PLOTV; 3.2.5 HOOKLW and ORIENT2; 3.2.6 USDATA and UACTIVE; 3.2.7 SEPFOR and MOTION; 3.2.8 UINSTR; 3.2.9 UBREAKGLUE; 3.2.10 USHELL; 4 Advanced Examples; 4.1 Overview; 4.2 Examples; 4.2.1 USPRNG and UEDINC.