.exists
|
Integral over contracted basis functions OK.
|
2009-05-11 23:43:45 +02:00 |
atomic_number.gz
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
charge.gz
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
coord.gz
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +02:00 |
label.gz
|
Reduce memory and correct bug with qcio
|
2009-05-18 15:00:54 +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 |