|
data_CC_vdz
|
updated data
|
2019-04-09 16:39:26 +02:00 |
|
data_CC_vdz_g09
|
updated Big data Large core
|
2019-04-09 16:37:44 +02:00 |
|
data_CC+LDA_ful_vdz
|
updated data
|
2019-04-09 16:39:26 +02:00 |
|
data_CC+LDA_val_vdz
|
updated data
|
2019-04-09 16:39:26 +02:00 |
|
data_CC+PBE_ful_vdz
|
updated data
|
2019-04-09 16:39:26 +02:00 |
|
data_CC+PBE_val_vdz
|
updated data
|
2019-04-09 16:39:26 +02:00 |
|
data_ec_vdz
|
added ecor
|
2019-04-11 17:37:32 +02:00 |
|
data_ec+LDA_val_vdz
|
added ecor
|
2019-04-11 17:37:32 +02:00 |
|
data_ec+PBE_val_vdz
|
added ecor
|
2019-04-11 17:37:32 +02:00 |
|
data_HF_5z+ec_vdz
|
added data ecor + HF5Z
|
2019-04-12 12:24:44 +02:00 |
|
data_HF_5z+ec+LDA_val_vdz
|
added data ecor + HF5Z
|
2019-04-12 12:24:44 +02:00 |
|
data_HF_5z+ec+PBE_val_vdz
|
added data ecor + HF5Z
|
2019-04-12 12:24:44 +02:00 |
|
data_HF_v5z_g09
|
added data ecor + HF5Z
|
2019-04-12 12:24:44 +02:00 |
|
data_HF_vdz_g09
|
added Large core CC+DFT stuffs
|
2019-03-28 15:10:08 +01:00 |
|
data_LDA_vdz
|
updated Big data Large core
|
2019-04-09 16:37:44 +02:00 |
|
data_PBE_vdz
|
updated Big data Large core
|
2019-04-09 16:37:44 +02:00 |
|
produce_data_DFT.py
|
added data ecor + HF5Z
|
2019-04-12 12:24:44 +02:00 |
