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QuantumPackage/src/trexio
History
eginer 0fdaa03d99 added extra basis
2024-12-04 15:58:59 +01:00
..
export_trexio_routines.irp.f
Updated to read CHolesky MO integrals from TREXIO
2024-07-03 15:32:38 +02:00
export_trexio.irp.f
Adapted trexio file for full path
2024-03-05 15:37:09 +01:00
EZFIO.cfg
Fix modifying determinants before mo_label exists
2023-11-27 14:25:05 +01:00
import_trexio_determinants.irp.f
Updated documentation
2024-03-20 16:06:44 +01:00
import_trexio_integrals.irp.f
added extra basis
2024-12-04 15:58:59 +01:00
LIB
Changed how libraries are handled
2023-09-19 14:43:42 +02:00
NEED
Added NEED in trexio
2023-05-12 19:58:15 +02:00
README.rst
Added TREXIO module
2023-05-11 22:48:48 +02:00
trexio_file.irp.f
Added TREXIO module
2023-05-11 22:48:48 +02:00
trexio_module.F90
Added TREXIO module
2023-05-11 22:48:48 +02:00

README.rst 

======
trexio
======

Module for handling TREXIO files.
See https://github.com/trex-coe/trexio