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Added function to read 4c-2e integrals from file#76

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DuttaS12 merged 2 commits intomainfrom
srijita
Feb 12, 2026
Merged

Added function to read 4c-2e integrals from file#76
DuttaS12 merged 2 commits intomainfrom
srijita

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This pull request adds a new function for reading 2e integrals from a file in the src/libio/read.cpp file. The new function includes error handling for file operations and checks for correct data formatting.

File I/O and Data Parsing Enhancements:

  • Added the read_MOI_from_file function to read MOI data from a specified file, including logic to handle file opening errors, line parsing, and validation of the expected number of columns and rows.

@DuttaS12 DuttaS12 requested a review from joshkamm February 12, 2026 17:34
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Just had copilot add some comments.

@DuttaS12 DuttaS12 merged commit bdefc71 into main Feb 12, 2026
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2 participants