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05f0113ccd
srDFT_G2/Big_data/Mixed_core/vdz
History
eginer 05f0113ccd removed Cheese nan
2019-04-02 13:36:54 +02:00
..
data_CC_vdz added all vdz vtz vqz for mixed core 2019-04-02 12:34:52 +02:00
data_CC_vdz_g09 added Big_data/Mixed_core vdz and vtz with proper names and sorting 2019-04-02 11:36:49 +02:00
data_CC+LDA_ful_vdz removed Cheese nan 2019-04-02 13:36:54 +02:00
data_CC+LDA_val_vdz removed Cheese nan 2019-04-02 13:36:54 +02:00
data_CC+PBE_ful_vdz removed Cheese nan 2019-04-02 13:36:54 +02:00
data_CC+PBE_val_vdz removed Cheese nan 2019-04-02 13:36:54 +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 added Big_data/Mixed_core vdz and vtz with proper names and sorting 2019-04-02 11:36:49 +02:00
data_LDA_vdz removed Cheese nan 2019-04-02 13:36:54 +02:00
data_PBE_vdz removed Cheese nan 2019-04-02 13:36:54 +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