How to use the dpgen.auto_test.lib.utils.log_iter function in dpgen

To help you get started, we’ve selected a few dpgen examples, based on popular ways it is used in public projects.

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deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

log_iter ("gen_equi", ii, "equi")
    gen_equi (ii, jdata, mdata)
    log_iter ("run_equi", ii, "equi")
    run_equi  (ii, jdata, mdata)
    log_iter ("cmpt_equi", ii,"equi")
    cmpt_equi (ii, jdata, mdata)
    for jj in all_task_list:
       if  jj == "eos":
           log_iter ("gen_eos", ii, "eos")
           gen_eos (ii, jdata, mdata)
           log_iter ("run_eos", ii, "eos")
           run_eos  (ii, jdata, mdata)
           log_iter ("cmpt_eos", ii, "eos")
           cmpt_eos (ii, jdata, mdata)
       if jj=="elastic":
           log_iter ("gen_elastic", ii, "elastic")
           gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)
       if jj=="vacancy":
           log_iter ("gen_vacancy", ii, "vacancy")
           gen_vacancy (ii, jdata, mdata)
           log_iter ("run_vacancy", ii, "vacancy")
           run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)
       if jj=="vacancy":
           log_iter ("gen_vacancy", ii, "vacancy")
           gen_vacancy (ii, jdata, mdata)
           log_iter ("run_vacancy", ii, "vacancy")
           run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")
           run_interstitial  (ii, jdata, mdata)
           log_iter ("cmpt_interstitial", ii, "interstitial")
           cmpt_interstitial (ii, jdata, mdata)
       if jj=="surf":
           log_iter ("gen_surf", ii, "surf")
           gen_surf (ii, jdata, mdata)
           log_iter ("run_surf", ii, "surf")
           run_surf  (ii, jdata, mdata)
           log_iter ("cmpt_surf", ii, "surf")
           cmpt_surf (ii, jdata, mdata)
       '''
       if jj=="phonon":
           log_iter ("gen_phonon", ii, "phonon")
           gen_phonon (ii, jdata, mdata)
           log_iter ("run_phonon", ii, "phonon")
           run_phonon  (ii, jdata, mdata)

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

log_iter ("cmpt_equi", ii,"equi")
    cmpt_equi (ii, jdata, mdata)
    for jj in all_task_list:
       if  jj == "eos":
           log_iter ("gen_eos", ii, "eos")
           gen_eos (ii, jdata, mdata)
           log_iter ("run_eos", ii, "eos")
           run_eos  (ii, jdata, mdata)
           log_iter ("cmpt_eos", ii, "eos")
           cmpt_eos (ii, jdata, mdata)
       if jj=="elastic":
           log_iter ("gen_elastic", ii, "elastic")
           gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)
       if jj=="vacancy":
           log_iter ("gen_vacancy", ii, "vacancy")
           gen_vacancy (ii, jdata, mdata)
           log_iter ("run_vacancy", ii, "vacancy")
           run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")
           run_interstitial  (ii, jdata, mdata)
           log_iter ("cmpt_interstitial", ii, "interstitial")
           cmpt_interstitial (ii, jdata, mdata)
       if jj=="surf":

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")
           run_interstitial  (ii, jdata, mdata)
           log_iter ("cmpt_interstitial", ii, "interstitial")
           cmpt_interstitial (ii, jdata, mdata)
       if jj=="surf":
           log_iter ("gen_surf", ii, "surf")
           gen_surf (ii, jdata, mdata)
           log_iter ("run_surf", ii, "surf")
           run_surf  (ii, jdata, mdata)
           log_iter ("cmpt_surf", ii, "surf")
           cmpt_surf (ii, jdata, mdata)
       '''
       if jj=="phonon":
           log_iter ("gen_phonon", ii, "phonon")
           gen_phonon (ii, jdata, mdata)
           log_iter ("run_phonon", ii, "phonon")
           run_phonon  (ii, jdata, mdata)
           log_iter ("cmpt_phonon", ii, "phonon")
           cmpt_phonon (ii, jdata, mdata)
       '''
       record_iter (record, confs, ii, jj)

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

if ii not in task_type_list :
        raise RuntimeError ("unknow task type %s, something wrong" % ii)

    #gen_configuration
    if 'confs' in confs and (not os.path.exists(confs+'/POSCAR')) :
        print('generate %s' % (ele_list))
        if len(ele_list) == 1 :
                gen_confs.gen_element(ele_list[0],key_id)
        else :
                gen_confs.gen_alloy(ele_list,key_id)
    #default task
    log_iter ("gen_equi", ii, "equi")
    gen_equi (ii, jdata, mdata)
    log_iter ("run_equi", ii, "equi")
    run_equi  (ii, jdata, mdata)
    log_iter ("cmpt_equi", ii,"equi")
    cmpt_equi (ii, jdata, mdata)
    for jj in all_task_list:
       if  jj == "eos":
           log_iter ("gen_eos", ii, "eos")
           gen_eos (ii, jdata, mdata)
           log_iter ("run_eos", ii, "eos")
           run_eos  (ii, jdata, mdata)
           log_iter ("cmpt_eos", ii, "eos")
           cmpt_eos (ii, jdata, mdata)
       if jj=="elastic":
           log_iter ("gen_elastic", ii, "elastic")
           gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

if jj=="elastic":
           log_iter ("gen_elastic", ii, "elastic")
           gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)
       if jj=="vacancy":
           log_iter ("gen_vacancy", ii, "vacancy")
           gen_vacancy (ii, jdata, mdata)
           log_iter ("run_vacancy", ii, "vacancy")
           run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")
           run_interstitial  (ii, jdata, mdata)
           log_iter ("cmpt_interstitial", ii, "interstitial")
           cmpt_interstitial (ii, jdata, mdata)
       if jj=="surf":
           log_iter ("gen_surf", ii, "surf")
           gen_surf (ii, jdata, mdata)
           log_iter ("run_surf", ii, "surf")
           run_surf  (ii, jdata, mdata)
           log_iter ("cmpt_surf", ii, "surf")
           cmpt_surf (ii, jdata, mdata)
       '''
       if jj=="phonon":
           log_iter ("gen_phonon", ii, "phonon")
           gen_phonon (ii, jdata, mdata)

deepmodeling / dpgen / dpgen / auto_test / run.py View on Github

gen_eos (ii, jdata, mdata)
           log_iter ("run_eos", ii, "eos")
           run_eos  (ii, jdata, mdata)
           log_iter ("cmpt_eos", ii, "eos")
           cmpt_eos (ii, jdata, mdata)
       if jj=="elastic":
           log_iter ("gen_elastic", ii, "elastic")
           gen_elastic (ii, jdata, mdata)
           log_iter ("run_elastic", ii, "elastic")
           run_elastic  (ii, jdata, mdata)
           log_iter ("cmpt_elastic", ii, "elastic")
           cmpt_elastic (ii, jdata, mdata)
       if jj=="vacancy":
           log_iter ("gen_vacancy", ii, "vacancy")
           gen_vacancy (ii, jdata, mdata)
           log_iter ("run_vacancy", ii, "vacancy")
           run_vacancy  (ii, jdata, mdata)
           log_iter ("cmpt_vacancy", ii, "vacancy")
           cmpt_vacancy (ii, jdata, mdata)
       if jj=="interstitial":
           log_iter ("gen_interstitial", ii, "interstitial")
           gen_interstitial (ii, jdata, mdata)
           log_iter ("run_interstitial", ii, "interstitial")
           run_interstitial  (ii, jdata, mdata)
           log_iter ("cmpt_interstitial", ii, "interstitial")
           cmpt_interstitial (ii, jdata, mdata)
       if jj=="surf":
           log_iter ("gen_surf", ii, "surf")
           gen_surf (ii, jdata, mdata)
           log_iter ("run_surf", ii, "surf")
           run_surf  (ii, jdata, mdata)
           log_iter ("cmpt_surf", ii, "surf")

How to use the dpgen.auto_test.lib.utils.log_iter function in dpgen

To help you get started, we’ve selected a few dpgen examples, based on popular ways it is used in public projects.

dpgen

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