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Fix spaces and Cie on Water exp

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This commit is contained in:
Mickaël Véril 2019-09-27 20:18:32 +02:00
parent efbe651907
commit cb40841392
1 changed files with 2 additions and 2 deletions
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static/data/abs/water_exp.dat
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@ -5,8 +5,8 @@
# geom : experimental # geom : experimental
# DOI : 10.1021/acs.jctc.8b00406 # DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Energies (eV) # Initial state Final state Energies (eV)
####################### ####################### ############### ####################### ####################### ############
# Spin Number Symm Spin Number Symm E_abs # Spin Number Symm Spin Number Symm E_abs
1 1 A_1 1 1 B_1 7.41 1 1 A_1 1 1 B_1 7.41
1 1 A_1 1 1 A_2 9.20 1 1 A_1 1 1 A_2 9.20