mirror of https://gitlab.com/QEF/q-e.git
212 lines
7.3 KiB
Plaintext
212 lines
7.3 KiB
Plaintext
[PW]
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exe = XXXXXX/test-suite/run-pw.sh
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extract_program = XXXXXX/test-suite/extract-pw.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.input tc.output tc.error
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tolerance = ( (8.0e-4, 1.0e-4, 'e1'),
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(8.0e+0, 1.0e+1, 'n1'),
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(1.0e-3, None, 'f1'),
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(2.0e+0, None, 'p1'),
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(8.0e-2, 2.0e-2, 'ef1'),
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(1.0e-2, 1.0e-2, 'eh1'),
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(1.0e-2, 2.0e-2, 'ehl1'),
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(2.0e-1, None, 'band'),
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(1.0e-2, 1.0e-2, 'tf1'),
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(5.0e-3, None, 'geom') )
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skip_program = grep
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skip_args = 'not present in this version'
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[CP]
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exe = XXXXXX/test-suite/run-cp.sh
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extract_program = XXXXXX/test-suite/extract-cp.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program -input tc.input tc.args > tc.output 2> tc.error
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tolerance = ( (1.0e-5, 1.0e-5, 'e1'),
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(5.0e-4, 1.0e-4, 's1'),
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(1.0e-2, 1.0e-2, 'v1u'),
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(1.0e-2, 1.0e-2, 'v1d'),
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(6.0e-3, 1.0e-3, 't1') )
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skip_program = grep
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skip_args = 'not present in this version\|libxc needed for this functional'
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[PH]
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exe = XXXXXX/test-suite/run-ph.sh
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extract_program = XXXXXX/test-suite/extract-ph.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (5.0e-5, 5.0e-3, 'e1'),
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(5.0e+0, 5.0e-1, 'n1'),
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(1.0e-3, 1.0e-5, 'f1'),
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(1.0e-1, 1.0e-3, 'p1'),
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(5.0e-2, None, 'band'),
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(1.0e-2, 1.0e-2, 'ef1'),
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(1.0e-2, 1.0e-2, 'eh1'),
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(1.0e-2, 2.0e-2, 'ehl1'),
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(1.0e-2, 1.0e-2, 'tf1'),
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(5.0e-2, 5.0e-3, 'diel'),
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(5.0e-2, 5.0e-3, 'born'),
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(5.0e-4, 5.0e-4, 'dos'),
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(5.0e-2, 1.0e-1, 'born_diff'),
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(1.5e-0, None, 'lambda'),
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(3.0e-1, 5.0e-3, 'lambda2'),
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(1.0e-6, 1.0e-6, 'qpt'),
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(2.0e+0, None, 'phfreq'),
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(1.0e-3, 1.0e-5, 'rlatt_cart'),
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(1.0e-3, 1.0e-5, 'rlatt_crys'),
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(5.0e-1, None, 'sum_w_pot'),
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(5.0e-4, 1.0e-2, 'postahc_selfen'))
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skip_program = grep
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skip_args = 'not present in this version'
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[HP]
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exe = XXXXXX/test-suite/run-hp.sh
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extract_program = XXXXXX/test-suite/extract-hp.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (5.0e-5, 5.0e-3, 'e1'),
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(5.0e+0, 5.0e-1, 'n1'),
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(1.0e-3, 1.0e-5, 'f1'),
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(5.0e-1, 1.0e-3, 'p1'),
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(1.5e-3, 1.2e-4, 'u'),
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(1.5e-3, 1.2e-4, 'v1'),
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(1.5e-3, 1.8e-4, 'v2'))
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skip_program = grep
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skip_args = 'not present in this version'
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[EPW]
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exe = XXXXXX/test-suite/run-epw.sh
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extract_program = XXXXXX/test-suite/extract-epw.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
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(1.0e-3, 1.0e-5, 'f1'),
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(1.0e-1, 5.0e-3, 'p1'),
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(1.0e-2, 1.0e-4, 'ef1'),
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(1.0e-2, 2.0e-4, 'eh1'),
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(1.0e-2, 2.0e-4, 'ehl1'),
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(1.0e-2, 1.0e-5, 'tf1'),
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(1.0e-4, 1.0e-5, 'qdir'),
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(5.0e-2, 5.0e-3, 'diel'),
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(5.0e-2, 5.0e-3, 'born'),
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(2.0e+0, None, 'phfreq'),
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(1.0e-5, 1.0e-5, 'q1'),
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(1.0e-5, 1.0e-5, 'dos1'),
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(1.0e-3, 5.0e-3, 'e2'),
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(1.5 , 2.0e-1, 'rsig'),
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(1.5 , 5.0e-1, 'isig'),
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(1.0e-2, 1.0e-2, 'rpi'),
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(1.0e-2, 1.0e-2, 'ipi'),
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( 100, None, 'z1'), # Unstable on unconverged grids.
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(1.0e-2, None, 'lam'),
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(1.0e-5, 1.0e-5, 'lambda'),
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(7.0e-1, None, 'lambda_tr'),
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(1.0e-2, None, 'gamma'),
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(1.1e-2, 5.0e-4, 'omega'),
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(1.0e-4, 5.0e-4, 'lam_tot'),
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(3.0e+1, 1.0e+0, 'lam_tr'),
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(2.0e-5, 6.0e-3, 'logavg'),
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(1.0e-2, 5.0e-2, 'l_a2f'),
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(1.0e-5, 1.0e-5, 'efm'),
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(5.0e-4, 5.0e-4, 'elph'),
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(2.0e-2, 5.0e-4, 'allDyn'),
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(2.0e-3, 5.0e-4, 'pi'),
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(1.0e-2, 5.0e-2, 'bcsgap'),
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(1.0e-4, 5.0e-4, 'mobvb'),
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(9.0e-4, 5.0e-4, 'mobcb'),
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(3.0e+1, 1.0e-1, 'mobnewx'),
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(3.0e+1, 1.0e-1, 'mobnewy'),
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(3.0e+1, 1.0e-1, 'mobnewz'),
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(1.0e+10,1.0e+2, 'density'),
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(1.0 , 1.0e-2, 'mobxZ'),
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(1.5e+3, None, 'indabs'),
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(1.0e-4, None, 'ratmax'))
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skip_program = grep
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skip_args = 'not present in this version'
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[ZG]
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exe = XXXXXX/test-suite/run-zg.sh
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extract_program = XXXXXX/test-suite/extract-zg.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (1.0e-6, 5.0e-3, 'conf') )
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skip_program = grep
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skip_args = 'not present in this version'
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[TDDFPT]
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exe = XXXXXX/test-suite/run-tddfpt.sh
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extract_program = XXXXXX/test-suite/extract-tddfpt.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (1.0e-6, 5.0e-3, 'e1'),
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(3.0e+0, 5.0e-1, 'n1'),
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(1.0e-3, 1.0e-5, 'f1'),
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(1.0e-1, 1.0e-3, 'p1'),
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(1.0e-5, 1.0e-4, 'alpha'),
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(1.0e-5, 1.0e-4, 'beta'),
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(1.0e-5, 1.0e-4, 'gamma'),
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(1.0e-5, 1.0e-4, 'average'),
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(3.0e-3, None, 'rechi'),
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(3.0e-3, None, 'imchi'),
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(3.0e-3, None, 'freq'),
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(3.0e-3, None, 'reepsm1'),
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(3.0e-3, None, 'imepsm1'),
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(3.0e-3, None, 'reeps'),
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(3.0e-3, None, 'imeps'),
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(1.0e-5, 5.0e-4, 'averageosc'))
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skip_program = grep
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skip_args = 'not present in this version'
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[PP]
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exe = XXXXXX/test-suite/run-pp.sh
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extract_program = XXXXXX/test-suite/extract-pp.sh
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.args tc.input tc.output tc.error
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tolerance = ( (1.0e-5, 1.0e-4, 'e1') ,
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(1.0e-5, 1.0e-4, 'efock') ,
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(1.0e-5, 1.0e-4, 'exlda') ,
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(1.0e-5, 1.0e-4, 'eclda') ,
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(1.0e-5, 1.0e-4, 'exc') ,
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(1.0e-5, 1.0e-4, 'etcl') ,
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(1.0e-5, 1.0e-4, 'etnl') ,
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(1.0e-5, 1.0e-4, 'ekc') ,
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(1.0e-5, 1.0e-4, 'enl') )
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skip_program = grep
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skip_args = 'not present in this version'
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[QEHeat_h2o_mol_t]
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.input tc.output tc.error
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tolerance = ( (1.0e-1, 2.5e-5 ) )
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skip_program = grep
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skip_args = 'not present in this version'
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[QEHeat_h2o_mol]
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.input tc.output tc.error
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tolerance = ( (1.0e-1, 1.0e-7 ) )
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skip_program = grep
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skip_args = 'not present in this version'
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[QEHeat_translation]
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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run_cmd_template = tc.program tc.input tc.output tc.error
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tolerance = ( (1.0e-2, 1.0e-4 ) )
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skip_program = grep
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skip_args = 'not present in this version'
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[user]
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benchmark = git
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date_fmt = %d%m%y
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diff = vimdiff
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