Anthony Scemama 5069a720a0 Reduce memory and correct bug with qcio

2009-05-18 15:00:54 +02:00

..

.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