H2 BLYP results

2021-01-20 15:54:32 +01:00 · 2021-01-20 15:54:32 +01:00 · f1d05e6ac3
commit f1d05e6ac3
parent c1f56bede3
10 changed files with 710 additions and 356 deletions
--- a/output/H2/TDDFT/tddft_blyp_eighth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_eighth_excitation
@ -1,26 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_fifth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_fifth_excitation
@ -1,30 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_first_excitation
+++ b/output/H2/TDDFT/tddft_blyp_first_excitation
@ -1,63 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_fourth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_fourth_excitation
@ -1,31 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_ninth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_ninth_excitation
@ -1,24 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_second_excitation
+++ b/output/H2/TDDFT/tddft_blyp_second_excitation
@ -1,71 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_seventh_excitation
+++ b/output/H2/TDDFT/tddft_blyp_seventh_excitation
@ -1,28 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_sixth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_sixth_excitation
@ -1,29 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_tenth_excitation
+++ b/output/H2/TDDFT/tddft_blyp_tenth_excitation
@ -1,22 +1,71 @@
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--- a/output/H2/TDDFT/tddft_blyp_third_excitation
+++ b/output/H2/TDDFT/tddft_blyp_third_excitation
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