LCPQ/eplf
10
0
Fork 0
mirror of https://gitlab.com/scemama/eplf synced 2025-01-05 02:48:55 +01:00
Code Issues Releases Wiki Activity
576063dab3
eplf/test/QCIO_File/geometry
History
Anthony Scemama 576063dab3 qcio file as an argument
2009-09-11 17:35:23 +02:00
..
atomic_number.gz qcio file as an argument 2009-09-11 17:35:23 +02:00
charge.gz qcio file as an argument 2009-09-11 17:35:23 +02:00
coord.gz qcio file as an argument 2009-09-11 17:35:23 +02:00
label.gz qcio file as an argument 2009-09-11 17:35:23 +02:00
nuc_energy Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00
num_atom Integral over contracted basis functions OK. 2009-05-11 23:43:45 +02:00