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a/output/H2/TDDFT/tddft_b3lyp_fourth_excitation b/output/H2/TDDFT/tddft_b3lyp_fourth_excitation deleted file mode 100644 index 592f40b..0000000 --- a/output/H2/TDDFT/tddft_b3lyp_fourth_excitation +++ /dev/null @@ -1,71 +0,0 @@ -16.4348 -16.1148 -15.8205 -15.5518 -15.3066 -15.0817 -14.8738 -14.6805 -14.5004 -14.3330 -14.1774 -14.0331 -13.8992 -13.7747 -13.6588 -13.5507 -13.4495 -13.3547 -13.2657 -13.0840 -12.9043 -12.7382 -12.5847 -12.4427 -12.3113 -12.1896 -12.0768 -11.9722 -11.8751 -11.7850 -11.7013 -11.6234 -11.5511 -11.4838 -11.4212 -11.3630 -11.3090 -11.2588 -11.2124 -11.1695 -11.1299 -11.0935 -11.0598 -11.0287 -10.9999 -10.9731 -10.9481 -10.9247 -10.9026 -10.8817 -10.8621 -10.8435 -10.8261 -10.8099 -10.7949 -10.7811 -10.7685 -10.7572 -10.7473 -10.7387 -10.7315 -10.7255 -10.7207 -10.7169 -10.7140 -10.7119 -10.7102 -10.7087 -10.7072 -10.7053 -10.7030 diff --git a/output/H2/TDDFT/tddft_b3lyp_ninth_excitation b/output/H2/TDDFT/tddft_b3lyp_ninth_excitation deleted file mode 100644 index a4d775a..0000000 --- a/output/H2/TDDFT/tddft_b3lyp_ninth_excitation +++ /dev/null @@ -1,71 +0,0 @@ -21.8681 -21.2167 -20.7924 -20.3962 -20.0264 -19.6815 -19.3598 -19.0594 -18.7784 -18.5153 -18.2687 -18.0377 -17.8217 -17.6203 -17.4331 -17.2598 -17.0996 -16.9518 -16.8156 -16.6902 -16.5751 -16.4697 -16.3738 -16.2868 -16.2086 -16.1385 -15.8230 -15.5042 -15.2011 -14.9154 -14.6482 -14.3999 -14.1704 -13.9590 -13.8961 -13.9185 -13.9438 -13.9716 -14.0013 -14.0325 -14.0647 -14.0974 -14.1303 -14.1629 -14.1951 -14.2264 -14.2567 -14.2858 -14.3134 -14.3394 -14.3638 -14.3865 -14.4073 -14.4263 -14.4435 -14.4588 -14.4722 -14.4838 -14.4936 -14.5017 -14.5081 -14.5131 -14.5168 -14.5191 -14.5204 -14.5207 -14.5201 -14.5188 -14.5168 -14.5143 -14.5113 diff --git a/output/H2/TDDFT/tddft_b3lyp_second_excitation b/output/H2/TDDFT/tddft_b3lyp_second_excitation deleted file mode 100644 index 46ad9a6..0000000 --- a/output/H2/TDDFT/tddft_b3lyp_second_excitation +++ /dev/null @@ -1,71 +0,0 @@ -14.5378 -14.2086 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a/output/H2/TDDFT/tddft_bhhlyp_fifth_excitation +++ /dev/null @@ -1,71 +0,0 @@ -19.1336 -18.6138 -18.1335 -17.6905 -17.2826 -16.9075 -16.5632 -16.2472 -15.9573 -15.6916 -15.4481 -15.2254 -15.0223 -14.7980 -14.4915 -14.2089 -13.9476 -13.7059 -13.4820 -13.2744 -13.1272 -13.0444 -12.9664 -12.8929 -12.8239 -12.7593 -12.6993 -12.6438 -12.5927 -12.5457 -12.5019 -12.4607 -12.4210 -12.3819 -12.3429 -12.3038 -12.2645 -12.2253 -12.1863 -12.1474 -12.1087 -12.0697 -12.0299 -11.9888 -11.9457 -11.8999 -11.8512 -11.7993 -11.7444 -11.6869 -11.6273 -11.5663 -11.5047 -11.4432 -11.3825 -11.3232 -11.2658 -11.2106 -11.1581 -11.1083 -11.0615 -11.0178 -10.9771 -10.9396 -10.9052 -10.8739 -10.8457 -10.8204 -10.7979 -10.7783 -10.7613 diff --git a/output/H2/TDDFT/tddft_bhhlyp_first_excitation b/output/H2/TDDFT/tddft_bhhlyp_first_excitation deleted file mode 100644 index 1fbf18a..0000000 --- a/output/H2/TDDFT/tddft_bhhlyp_first_excitation +++ /dev/null @@ -1,71 +0,0 @@ -13.7914 -13.0642 -12.3404 -11.6207 -10.9070 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a/output/H2/TDDFT/tddft_bhhlyp_third_excitation +++ /dev/null @@ -1,71 +0,0 @@ -15.2526 -14.7414 -14.2523 -13.8706 -13.5885 -13.3307 -13.0947 -12.8782 -12.6796 -12.4977 -12.3312 -12.1790 -12.0400 -11.9130 -11.7968 -11.6906 -11.5932 -11.5040 -11.4221 -11.3470 -11.2781 -11.2146 -11.1561 -11.1021 -11.0521 -11.0061 -10.9637 -10.9249 -10.8892 -10.8563 -10.8252 -10.7951 -10.7647 -10.7329 -10.6988 -10.6616 -10.6210 -10.5766 -10.5282 -10.4757 -10.4190 -10.3581 -10.2933 -10.2248 -10.1532 -10.0794 -10.0041 -9.9283 -9.8528 -9.7785 -9.7061 -9.6362 -9.5692 -9.5054 -9.4451 -9.3885 -9.3357 -9.2866 -9.2413 -9.1997 -9.1617 -9.1273 -9.0963 -9.0686 -9.0441 -9.0227 -9.0041 -8.9884 -8.9752 -8.9646 -8.9563 diff --git a/output/H2/TDDFT/tddft_blyp_eighth_excitation b/output/H2/TDDFT/tddft_blyp_eighth_excitation deleted file mode 100644 index 24c1c6e..0000000 --- a/output/H2/TDDFT/tddft_blyp_eighth_excitation +++ /dev/null @@ -1,71 +0,0 @@ -21.5601 -21.1282 -20.7241 -20.3463 -19.9933 -19.6636 -19.3557 -19.0677 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