/modules - Dépôt - DockOnSurf - Forge du Centre Blaise Pascal

dockonsurf / modules @ f43a1b4c

Nom	Taille
add_adsorbate_euler+dissociation.py	9,76 ko
ase_Fe1_Fe2.py	2,09 ko
calculate_rmsd	27,71 ko
clustering.py	962 octet
fe_change.sh	596 octet
generation_conformeres.py	4,49 ko
launch_cp2k_molecule_seule.sh	1,7 ko
launch_script+diss.sh	1,54 ko
mol_to_xyz.sh	960 octet
recenter_only.py	704 octet
recenter_periodicity.py	1,07 ko
script_add_adsorbate+diss.sh	2,76 ko
script_grandes_molecules+diss.sh	12,6 ko

#	Date	Auteur	Commentaire
f43a1b4c	15/10/2019 11:58	Marti Aliod Carles	The check for running jobs has changed from checking the job name to checking the job num id.
d3aa7749	09/10/2019 15:14	Marti Aliod Carles	fe_change.sh now expects a surface xyz file ended with a carriage return character
86112fec	02/10/2019 16:50	Marti Aliod Carles	Initial files

Formats disponibles : Atom