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