On 03/31/2017 10:50 AM, Peter Otten wrote:
Stephen P. Molnar wrote:
I have a block of data extracted from a quantum mechanical calculation:
CARTESIAN COORDINATES (A.U.)
NO LB ZAFRAG MASS X Y Z
0 C 6.0
On 03/31/2017 10:29 AM, Alan Gauld via Tutor wrote:
On 31/03/17 13:19, Stephen P. Molnar wrote:
I have a block of data extracted from a quantum mechanical calculation:
How is this data stored? On paper? In a database? In XML? A CSV file?
Plain text? The answer to that will go a long way to poi
Stephen P. Molnar wrote:
> I have a block of data extracted from a quantum mechanical calculation:
>
> CARTESIAN COORDINATES (A.U.)
>
>NO LB ZAFRAG MASS X Y Z
> 0 C 6.012.011 -3.2656360.1988940
On 31/03/2017 14:19, Stephen P. Molnar wrote:
I have a block of data extracted from a quantum mechanical calculation:
CARTESIAN COORDINATES (A.U.)
NO LB ZAFRAG MASS X Y Z
0 C 6.012.011 -3.2656360.
On 31/03/17 13:19, Stephen P. Molnar wrote:
> I have a block of data extracted from a quantum mechanical calculation:
How is this data stored? On paper? In a database? In XML? A CSV file?
Plain text? The answer to that will go a long way to pointing you in the
right direction for a solution.
> CA
I have a block of data extracted from a quantum mechanical calculation:
CARTESIAN COORDINATES (A.U.)
NO LB ZAFRAG MASS X Y Z
0 C 6.012.011 -3.2656360.1988940.090858
1 C 6.012.01