signac
latest
Getting Started
Concept
Packages
Installation
Install with conda
Install with pip
Installation from Source
Build Status
signac
signac-flow
signac-dashboard
Quickstart
Tutorial
Basics
Initializing the data space
Exploring the data space
Interacting with the
signac
project
Operating on the data space
Workflows
Implementing a simple workflow
Extending the workflow
Grouping Operations
The job document
Job.data and Job.stores
Job scripts and cluster submission
Generating scripts
Submit operations to a scheduling system
Examples
Ideal Gas
MD with HOOMD-blue
Integration with Sacred
Package API Reference
signac (core) API
signac-flow API
signac-dashboard API
Topic Guide
Projects
Introduction
Project Initialization
The Data Space
Jobs
Finding jobs
Grouping
Basic Grouping by Key
Grouping by Multiple Keys
Searching and Grouping
Custom Grouping Functions
Moving, Copying and Removal
Centralized Project Data
Schema Detection
Importing and Exporting Data
Exporting a Workspace
Importing a Data Space
Linked Views
Synchronization
Jobs
Overview
The Job State Point
Modifying the State Point
The Job Document
Job Data Storage
Reading and Writing data
Accessing arrays
Data organization
Accessing keys
File handling
Low-level API
Job Stores
Query API
Basic Expressions
Select All
Simple Selection
Nested Keys
Operator Expressions
Arithmetic Expressions
Near Operator
Logical Operators
Exists Operator
Array Operator
Regular Expression Operator
Type Operator
Where Operator
Simplified Syntax on the Command Line
The Dashboard
Getting Started
Start a Dashboard
Included Modules
Specifying a custom job title
Running dashboards on a remote host
Dissecting the Dashboard Structure
Searching jobs
Operations and Conditions
Data Space Operations
Concept
The
flow.run()
-interface
Parallelized Execution
Conditions
The FlowProject
Setup and Interface
Defining a workflow
The Project Status
Generating Execution Scripts
Cluster Submission
The
submit
interface
Submitting specific Operations
Parallelization and Bundling
Submission Directives
Available directives
Execution Modes
Manage Environments
How to Use Environments
Packaged Environments
Defining New Environments
Contributing Environments to the Package
Templates
Replacing the default template
Customize provided templates
The base template
FlowGroups
Definition
Basic Usage
Group-Specific Directives
Indexing
Concept
Indexing a signac Project
Indexing files
Fetching Data
Deep Indexing
Searching an Index
Master Indexes
Generating a Master Index
The
signac_access.py
Module
Database Integration
Database access
Mirroring of Data
Using Tags to Control Access
How to publish an index
Collections
Creating collections
Searching collections
Command Line Interface
Configuration
Overview
Project configuration
Host configuration
Configuring a new host
Changing the password
Copying a configuration
Manual host configuration
Advanced How-To
Migrating (changing) the data space schema
Adding/renaming/deleting keys
Initializing Jobs with Replica Indices
Applying document-wide changes
Initializing state points with replica indices
Defining a grid of state point values
Creating parameter-dependent operations
Using signac-flow with MATLAB or other software without Python interface
Running MPI-parallelized operations
MPI-operations with mpi4py or similar
MPI-operations with
flow.cmd
MPI-operations with custom script templates
Forcing the execution of a specific operation for debugging
Running in containerized environments
Using multiple execution environments for operations
FAQ
How do I design a good schema?
What is the difference between the job state point and the job document?
How do I avoid replicating metadata in filenames?
How do I reference data/jobs in scripts?
Reference
Community
NumFOCUS
Code of Conduct
Support
Contributions
GitHub
Twitter
License
How to cite signac
Badge
Logos
signac
Docs
»
Index
Edit on GitHub
Index
B
|
E
|
F
|
G
|
H
|
M
|
N
|
O
|
P
|
R
|
S
B
body
E
executable
F
footer
G
GPU:
H
header
M
MPI parallelized:
MPI/OpenMP Hybrid:
N
ngpu
np
nranks
O
omp_num_threads
P
parallelized:
project_header
R
resources
S
serial:
Read the Docs
v: latest
Versions
latest
flowgroup-docs
fix-85-nav-expose
Downloads
pdf
html
epub
On Read the Docs
Project Home
Builds
Free document hosting provided by
Read the Docs
.