|
|
1b0f8b280e
|
Typo
|
2021-10-13 09:50:18 +02:00 |
|
|
|
b29fbce29d
|
Synchronized with QCaml
|
2020-10-19 18:43:08 +02:00 |
|
|
|
2b95251386
|
install libxc
|
2020-10-12 14:25:30 +02:00 |
|
|
|
9707f6829f
|
GoDuck qcaml
|
2020-10-12 13:06:41 +02:00 |
|
|
|
c68ff7c18d
|
Add multipole integrals in qcaml-tools
|
2020-10-12 09:00:18 +02:00 |
|
|
|
ba958ff550
|
Better CLI
|
2020-10-11 22:26:37 +02:00 |
|
|
|
ade70d4062
|
Finished quack_input
|
2020-10-11 21:54:30 +02:00 |
|
|
|
3658c4d597
|
Added quack_integrals
|
2020-10-11 21:24:26 +02:00 |
|
|
|
b3d89ac0f2
|
qcaml makefile
|
2020-10-10 11:36:02 +02:00 |
|
|
|
530f85c7a8
|
QCaml basis set OK
|
2020-10-10 11:30:40 +02:00 |
|
|
|
1c50739c98
|
Add quack-input.ml
|
2020-10-08 11:52:49 +02:00 |
|
|
|
44e2b80a69
|
Setup QCaml
|
2020-10-08 10:12:14 +02:00 |
|
