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| .. | ||
| bsebatch.jar | ||
| README | ||
Dumps the content of http://bse.pnl.gov To execute java -jar bsebatch.jar You need to provides username and password you got from registering at https://bse.pnl.gov/bse/portal Snippet of example run $java -jar bsebatch.jar Gettng basis set info from: https://bse.pnl.gov/sam/files/projects/Basis_Set_Curators/Gaussian Mar 20, 2017 3:41:59 PM com.sourceforge.knecs.dsm.dsi.DSI setURL INFO: ***Using HTTPS Mar 20, 2017 3:42:10 PM com.sourceforge.knecs.util.CMCSProperties <init> INFO: CmcsPropertie loaded 219 Exception on parseXlink: null Getting file /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/g3mp2largexp Saving file (1 of 569): /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/g3mp2largexp Getting file /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pv8z Saving file (2 of 569): /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pv8z Getting file /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pvdzfi_sf_sc Saving file (3 of 569): /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pvdzfi_sf_sc Getting file /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pv5zfi_sf_sc Saving file (4 of 569): /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/cc-pv5zfi_sf_sc Getting file /home/edo/nwchem/contrib/basis_set_exchange/bsedata/orbitals/dhf-qzvp .... ....