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alchem0x2A committed Mar 14, 2024
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Expand Up @@ -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.*



Expand All @@ -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.
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