Commit Graph

27 Commits

Author SHA1 Message Date
eginer
717463bad3 added data ecor + HF5Z 2019-04-12 12:24:44 +02:00
eginer
a40f526671 added data_ec_v5z 2019-04-11 17:59:11 +02:00
eginer
4d4f64b639 added ecor 2019-04-11 17:37:32 +02:00
eginer
f3751fbe8c added v5z 2019-04-10 10:34:20 +02:00
eginer
dfec2ba4ce added extrap* 2019-04-10 10:33:01 +02:00
eginer
134d18156a updated data 2019-04-09 16:39:26 +02:00
eginer
0297c49ce1 updated Big data Large core 2019-04-09 16:37:44 +02:00
eginer
0d74f5f09d updated data qz 2019-04-09 15:03:05 +02:00
eginer
eff2434182 fixed data 2019-04-09 15:00:26 +02:00
eginer
71c7607f9c updated data 2019-04-09 14:51:49 +02:00
Emmanuel Giner
037daa63d1 updated the data with the Na Be and Li in Big_data Mixed_core 2019-04-09 00:34:31 +02:00
eginer
05cf5519c6 added data_extrap_CC_Q5 2019-04-05 16:55:56 +02:00
eginer
4a514a24c4 updated 2019-04-05 16:07:41 +02:00
eginer
c360944527 added Big_data/Mixed_core/v5z 2019-04-05 15:55:13 +02:00
Emmanuel Giner
931f521816 added data DFT for avdz avtz 2019-04-04 09:13:41 +02:00
eginer
05f0113ccd removed Cheese nan 2019-04-02 13:36:54 +02:00
eginer
25ab254f48 added all vdz vtz vqz for mixed core 2019-04-02 12:34:52 +02:00
eginer
6baaa9a995 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
eginer
c293cb38e7 added Big_data/Mixed_core vdz and vtz with proper names and sorting 2019-04-02 11:36:49 +02:00
eginer
1a6c3d03bf added Large_core/vtz 2019-03-28 16:46:23 +01:00
eginer
bfffa331cb entered data for N2 at CCSD(T) level for vdz and vtz 2019-03-28 16:45:38 +01:00
eginer
694a342953 added G2-srDFT.bib 2019-03-28 15:14:31 +01:00
eginer
a68c74e228 added Large core CC+DFT stuffs 2019-03-28 15:10:08 +01:00
Emmanuel Giner
433d4b9b43 added Big_data/Small_core vdz and vtz 2019-03-28 00:30:26 +01:00
Emmanuel Giner
1ceb42d8bf moved the Large_core data in an other folder 2019-03-27 13:39:18 +01:00
Emmanuel Giner
b111f66637 updated data DFT for SiH2_1A1 and SiH2_3B1 2019-03-27 13:32:06 +01:00
Emmanuel Giner
8119906469 added results for CC+DFT 2019-03-27 12:32:10 +01:00