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b111f66637
srDFT_G2/Big_data/vdz
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Emmanuel Giner b111f66637 updated data DFT for SiH2_1A1 and SiH2_3B1
2019-03-27 13:32:06 +01:00
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data_CC_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_CC_vdz_g09 added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_CC+LDA_ful_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_CC+LDA_val_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_CC+PBE_ful_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_CC+PBE_val_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_HF_vdz added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_HF_vdz_g09 added results for CC+DFT 2019-03-27 12:32:10 +01:00
data_LDA_vdz updated data DFT for SiH2_1A1 and SiH2_3B1 2019-03-27 13:32:06 +01:00
data_PBE_vdz updated data DFT for SiH2_1A1 and SiH2_3B1 2019-03-27 13:32:06 +01:00
produce_data_DFT.py added results for CC+DFT 2019-03-27 12:32:10 +01:00