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java code to dump data from bse.pnl.gov

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Edoardo Apra 2017-03-20 22:44:33 +00:00
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contrib/basis_set_exchange/README Normal file
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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
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contrib/basis_set_exchange/bsebatch.jar Normal file
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