Dear DALTON developers,
Maybe is not a real bug, but in the case of dimer basis calculation (for example, BSSE case) if I put first the ghost atoms (with zero electron charge) in my input file, the program stops with the following message:
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SYMGRP: Point group information
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Point group: C1
--- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
Date and time (Linux) : Tue Jun 17 16:28:22 2014
Host name : compute001
Reason: All nuclei MUST come before floating orbital centers
>>>> Total CPU time used in DALTON: 0.01 seconds
>>>> Total wall time used in DALTON: 0.00 seconds
QTRACE dump of internal trace stack
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level module
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6 NUCPRO
5 READ_MOL
4 READIN
3 HERMIT
2 DALTON
1 DALTON main
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Input file - order of atoms
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