eginer 0d74f5f09d updated data qz		2019-04-09 15:03:05 +02:00
..
data_CC_vqz	added all vdz vtz vqz for mixed core	2019-04-02 12:34:52 +02:00
data_CC_vqz_g09	added data_CC_vqz_g09 data_HF_vqz data_HF_vqz_g09 data_LDA_vqz data_PBE_vqz	2019-04-02 12:32:12 +02:00
data_CC+LDA_ful_vqz	added all vdz vtz vqz for mixed core	2019-04-02 12:34:52 +02:00
data_CC+LDA_val_vqz	added all vdz vtz vqz for mixed core	2019-04-02 12:34:52 +02:00
data_CC+PBE_ful_vqz	added all vdz vtz vqz for mixed core	2019-04-02 12:34:52 +02:00
data_CC+PBE_val_vqz	added all vdz vtz vqz for mixed core	2019-04-02 12:34:52 +02:00
data_HF_vqz	updated the data with the Na Be and Li in Big_data Mixed_core	2019-04-09 00:34:31 +02:00
data_HF_vqz_g09	added data_CC_vqz_g09 data_HF_vqz data_HF_vqz_g09 data_LDA_vqz data_PBE_vqz	2019-04-02 12:32:12 +02:00
data_LDA_vqz	updated data qz	2019-04-09 15:03:05 +02:00
data_PBE_vqz	updated data qz	2019-04-09 15:03:05 +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