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update version of NISP v1.3.1
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geoffreyweal committed Feb 21, 2021
1 parent a0abb53 commit 7b47a90
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Showing 5 changed files with 5 additions and 2 deletions.
2 changes: 1 addition & 1 deletion NISP/NISP/Cluster.py
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from sys import exit

def get_cluster(task):
motif, motif_details, element, local_optimiser, e_coh, no_atoms, no_of_tasks, counter = task
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1 change: 1 addition & 0 deletions NISP/NISP/Interpolation_Connection.py
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from sys import exit
# This section of he code is responsible for creating the connections between clusters

# This method will create all the conenctions between clusters.
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1 change: 1 addition & 0 deletions NISP/NISP/Manual_Mode.py
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import os
from shutil import rmtree
from sys import exit

from ase.io import write
from ase.cluster.icosahedron import Icosahedron
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1 change: 1 addition & 0 deletions NISP/NISP/Run_Interpolation_Scheme.py
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print('Loading os, timing, and multiprocessing modules')
import os, time
import multiprocessing as mp
from sys import exit
print('Beginning Interpolation Program')

def check_value(value,plot_information,default):
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2 changes: 1 addition & 1 deletion NISP/NISP/motif_methods.py
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from sys import exit

def no_of_atoms_to_make_ico(noshells):
if noshells < 1:
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