All settings and configuration of siman are stored in siman.header using global variables, lists and dicts. To override default values, a user can have several python configurational files. Usually two files are enough: simanrc.py and project_conf.py. simanrc.py is the configuration file used by user for all his projects and usually placed in home directory. project_conf.py is placed in project folder and override global settings. To upload user settings, one should run the following commands in the beginning of the script:

    from siman import header
    header._update_configuration('~/simanrc.py')    
    header._update_configuration('~/scientific_projects/cathode/project_conf.py')    

To provide information about clusters use CLUSTER dict. It can contain arbirtary number of clusters, where key is the name of cluster.

from siman.header import CLUSTERS
DEFAULT_CLUSTER = 'cee'
CLUSTERS['cee'] = {
'address':'d.aksenov@10.30.16.168', # user name and cluster address used by ssh protocol for connection. passwordless access should be available
'vasp_com':'mpirun vasp_std', # run command for VASP
'gaussian_command':'g16', # run command for Gaussian
'homepath':'/home/d.aksenov/', # User homefolder on cluster
'schedule':'SLURM', #  job scheduler, available options are 'SLURM', 'SGE', 'PBS'
'corenum':16, # number of cores
'memory':24, #GB, amount of requried memory
'partition':'AMG-medium', # partition name, use sinfo command on cluster to check available partitions
# 'any_command':['--exclude=node-amg01',], # list of any additional job scheduler commands
'modules':'module load Compiler/Intel/16u4 Q-Ch/VASP/5.4.4 \nulimit -s unlimited\n',
'source':'source /etc/profile.d/modules.sh', # command to load required configuration files, any commands can be written
}