lammps

Author	SHA1	Message	Date
julient31	3168704858	For paramagnetic simulation (no pair interaction declared), the "atom_modify" command has to be used (in order to initialize the bin). example: atom_modify sort 1000 4.0 (Freq. of sorting, Cutoff distance) In order to print the actual time with the total mag., the vector associated to the mag. compute was modified. It is now: [time, Mx, My, Mz, \|M\|, En_mag] Optimization of the spin_compute routine: energy and mag. have been gathered in a same loop.	2018-04-26 13:08:54 -06:00
julient31	bf18d84273	Same commit, with input (mag. cobalt) and vmd files	2018-04-26 13:08:54 -06:00

Author

SHA1

Message

Date

julient31

3168704858

For paramagnetic simulation (no pair interaction declared), the "atom_modify" command has to be used (in order to initialize the bin).

example: atom_modify sort 1000 4.0 (Freq. of sorting, Cutoff distance)

In order to print the actual time with the total mag., the vector associated to the mag. compute was modified. It is now: [time, Mx, My, Mz, |M|, En_mag]

Optimization of the spin_compute routine: energy and mag. have been gathered in a same loop.

2018-04-26 13:08:54 -06:00

julient31

bf18d84273

Same commit, with input (mag. cobalt) and vmd files

2018-04-26 13:08:54 -06:00

2 Commits