|
|
a62b65096b
|
more error checks for Scafacos usage
|
2018-07-18 15:48:17 -06:00 |
|
|
|
b0c9fde1dd
|
more changes from Steve
|
2018-07-18 15:32:03 -06:00 |
|
|
|
eebd075a15
|
added scaling for different units (lj, metal, ...) and storage of atom-wise potentials (eatom / eatom_flag)
|
2018-07-18 11:05:54 -06:00 |
|
|
|
e7f4e059cf
|
convert to KSspace style rather than fix
|
2018-07-13 16:46:06 -06:00 |
|
