diff --git a/README.md b/README.md index 3acfdf70..9e5dd8c6 100644 --- a/README.md +++ b/README.md @@ -376,8 +376,11 @@ overhead typically associated with file I/O during calculation restarts. This feature is particularly beneficial for tasks involving repetitive operations like structural optimization and saddle point searches, where traditional file-based communication can become a -bottleneck. The underlying software architecture is shown in the following scheme: +bottleneck. The underlying software architecture is shown in [Fig. 2](): + ![scheme-sparc-socket](doc/img/scheme_socket_hetero.png) +*Fig. 2. Scheme for the operation of SPARC socket communication accross heterogeneous +computational platforms.* @@ -398,9 +401,10 @@ adheres to the [i-PI protocol](https://github.com/i-pi/i-pi) standard. Specifically, we implement the original i-PI protocol within the SPARC C-source code, while the python SPARC-X-API uses a backward-compatible protocol based on i-PI. The dual-mode design is aimed for both low-level and -high-level interfacing of the DFT codes, providing the following features: +high-level interfacing of the DFT codes, providing the following features as shown in [Fig. 3](): ![scheme-sparc-protocol](doc/img/scheme_sparc_protocol.png) +*Fig. 3. Overview of the SPARC protocol as an extension to the standard i-PI protocol.* 1. **Unified Interface**: A consistent interface for both client and server codes, simplifying user interaction across different modes. 2. **Versatile Operation Modes:** Supports various modes (Local-only, Client, Server) to cater to diverse computational needs.