Dependency Graph

This document describes the dependencies between source files and components in the StdFace codebase.

File Dependencies

Header Inclusion Graph

dry.c
  └── version.h

StdFace_main.c
  ├── StdFace_vals.h
  ├── StdFace_ModelUtil.h
  └── export_wannier90.h  [conditional: _HWAVE only]

StdFace_ModelUtil.c
  ├── StdFace_vals.h
  ├── StdFace_ModelUtil.h
  └── setmemory.h

ChainLattice.c
  ├── StdFace_vals.h
  └── StdFace_ModelUtil.h

[All other lattice files follow the same pattern]

setmemory.c
  └── setmemory.h

export_wannier90.c
  ├── StdFace_vals.h
  └── export_wannier90.h

Source reference: Include statements in each .c file

Header Dependency Diagram

┌─────────────────┐
│   version.h     │  (standalone)
└─────────────────┘

┌─────────────────┐
│  setmemory.h    │  (standalone)
└─────────────────┘

┌─────────────────┐
│ StdFace_vals.h  │  (defines StdIntList)
└────────┬────────┘
         │
         ▼
┌─────────────────┐     ┌─────────────────────┐
│StdFace_ModelUtil.h│◄───│ export_wannier90.h  │
│  (uses StdIntList) │    │ (conditional _HWAVE) │
└─────────────────┘     └─────────────────────┘

Key observations:

• StdFace_vals.h is the foundational header (defines StdIntList)

• StdFace_ModelUtil.h depends on StdFace_vals.h

• export_wannier90.h depends on StdFace_vals.h (via forward declaration)

• version.h and setmemory.h are standalone

Call Graph

Main Call Path

main()  [dry.c]
  │
  ├── printVersion()  [version.h]
  │
  └── StdFace_main()  [StdFace_main.c]
        │
        ├── StdFace_ResetVals()
        │
        ├── [Input parsing functions]
        │     ├── TrimSpaceQuote()
        │     ├── Text2Lower()
        │     └── StoreWithCheckDup_*()
        │
        ├── [Lattice constructor - one of:]
        │     ├── StdFace_Chain()        [ChainLattice.c]
        │     ├── StdFace_Ladder()       [Ladder.c]
        │     ├── StdFace_Tetragonal()   [SquareLattice.c]
        │     ├── StdFace_Triangular()   [TriangularLattice.c]
        │     ├── StdFace_Honeycomb()    [HoneycombLattice.c]
        │     ├── StdFace_Kagome()       [Kagome.c]
        │     ├── StdFace_Orthorhombic() [Orthorhombic.c]
        │     ├── StdFace_FCOrtho()      [FCOrtho.c]
        │     ├── StdFace_Pyrochlore()   [Pyrochlore.c]
        │     └── StdFace_Wannier90()    [Wannier90.c]
        │
        └── [Output functions - mode dependent]
              ├── PrintLocSpin()
              ├── PrintTrans()
              ├── PrintInteractions()
              ├── PrintModPara()
              ├── PrintNamelist()
              └── [mode-specific functions]

Source reference: src/dry.c, src/StdFace_main.c

Lattice Constructor Dependencies

Each lattice constructor calls common utility functions from StdFace_ModelUtil.c:

StdFace_<Lattice>()
  │
  ├── StdFace_InitSite()       # Initialize site arrays
  │
  ├── StdFace_MallocInteractions()  # Allocate interaction arrays
  │
  ├── StdFace_SetLabel()       # Set site labels
  │
  ├── [Model-specific interaction setup]
  │     ├── StdFace_Hopping()      # Hopping terms
  │     ├── StdFace_HubbardLocal() # On-site U
  │     ├── StdFace_Coulomb()      # Inter-site V
  │     ├── StdFace_GeneralJ()     # Exchange J
  │     └── StdFace_MagField()     # Magnetic field
  │
  └── StdFace_PrintGeometry()  # Output geometry info

Source reference: Lattice constructor implementations

Memory Allocation Dependencies

Memory allocation functions in setmemory.c are called from:

StdFace_MallocInteractions()  [StdFace_ModelUtil.c]
  │
  ├── i_1d_allocate()   # Integer arrays
  ├── i_2d_allocate()   # 2D integer arrays
  ├── d_1d_allocate()   # Double arrays
  ├── cd_1d_allocate()  # Complex double arrays
  └── cd_2d_allocate()  # 2D complex arrays

Source reference: src/StdFace_ModelUtil.c, src/setmemory.c

Component Responsibilities

Component	Responsibility
dry.c	CLI interface, argument handling
StdFace_main.c	Input parsing, orchestration, output generation
StdFace_ModelUtil.c	Lattice utilities, interaction setup
<Lattice>.c files	Lattice-specific geometry and neighbor logic
setmemory.c	Memory allocation/deallocation
export_wannier90.c	Wannier90 format export (HWAVE only)

Build Dependencies

CMake Dependency Structure

CMakeLists.txt (root)
  │
  ├── Sets project options (HPHI, MVMC, UHF, HWAVE)
  │
  └── add_subdirectory(src)
        │
        └── src/CMakeLists.txt
              │
              ├── Defines SOURCES_StdFace (common sources)
              │
              └── For each enabled mode:
                    ├── add_library(StdFace_<mode>)
                    ├── add_executable(<mode>_dry.out)
                    └── target_link_libraries(..., m)

External dependencies:

• Standard C library (libc)

• Math library (libm) - linked via -lm

Source reference: CMakeLists.txt, src/CMakeLists.txt

Compile-Time Dependencies

The preprocessor defines create compile-time dependencies:

Define	Enables
_HPhi	HPhi-specific keywords, output functions
_mVMC	mVMC-specific keywords, variational outputs
_UHF	UHF-specific keywords, mean-field outputs
_HWAVE	HWAVE keywords, Wannier90 export functions

These are mutually exclusive in practice (each binary has one define).

Source reference: src/CMakeLists.txt:19-50

Data Flow

Input File (stan.in)
      │
      ▼
┌─────────────────┐
│ Parse keywords  │
│ into StdIntList │
└────────┬────────┘
         │
         ▼
┌─────────────────┐
│ Lattice         │
│ Constructor     │
│                 │
│ Populates:      │
│ - trans[]       │
│ - intr[]        │
│ - transindx[][] │
│ - intrindx[][]  │
└────────┬────────┘
         │
         ▼
┌─────────────────┐
│ Output          │
│ Functions       │
│                 │
│ Write config    │
│ files for       │
│ target solver   │
└────────┬────────┘
         │
         ▼
Output Files (*.def, etc.)

The StdIntList structure serves as the central data container throughout the entire processing pipeline.

Source reference: src/StdFace_vals.h (structure definition), src/StdFace_main.c (data flow implementation)