eginer 25ab254f48 added all vdz vtz vqz for mixed core

2019-04-02 12:34:52 +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

added all vdz vtz vqz for mixed core

2019-04-02 12:34:52 +02:00

data_CC+LDA_val_vdz

added all vdz vtz vqz for mixed core

2019-04-02 12:34:52 +02:00

data_CC+PBE_ful_vdz

added all vdz vtz vqz for mixed core

2019-04-02 12:34:52 +02:00

data_CC+PBE_val_vdz

added all vdz vtz vqz for mixed core

2019-04-02 12:34:52 +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

added Big_data/Mixed_core vdz and vtz with proper names and sorting

2019-04-02 11:36:49 +02:00

data_PBE_vdz

added Big_data/Mixed_core vdz and vtz with proper names and sorting

2019-04-02 11:36:49 +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