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srDFT_G2/Big_data/Mixed_core/vdz
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eginer eff2434182 fixed data
2019-04-09 15:00:26 +02:00
..
data_CC_vdz
updated data
2019-04-09 14:51:49 +02:00
data_CC_vdz_g09
updated data
2019-04-09 14:51:49 +02:00
data_CC+LDA_ful_vdz
fixed data
2019-04-09 15:00:26 +02:00
data_CC+LDA_val_vdz
fixed data
2019-04-09 15:00:26 +02:00
data_CC+PBE_ful_vdz
fixed data
2019-04-09 15:00:26 +02:00
data_CC+PBE_val_vdz
fixed data
2019-04-09 15:00:26 +02:00
data_HF_vdz
added Big_data/Mixed_core vdz and vtz with proper names and sorting
2019-04-02 11:36:49 +02:00
data_HF_vdz_g09
updated data
2019-04-09 14:51:49 +02:00
data_LDA_vdz
fixed data
2019-04-09 15:00:26 +02:00
data_PBE_vdz
fixed data
2019-04-09 15:00:26 +02:00
produce_data_DFT.py
added all vdz vtz vqz for mixed core
2019-04-02 12:34:52 +02:00
script.sh
added all vdz vtz vqz for mixed core
2019-04-02 12:34:52 +02:00