mirror of https://github.com/abinit/abinit.git
40 lines
1.1 KiB
Plaintext
40 lines
1.1 KiB
Plaintext
##############################################################################
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#Test for multibinit test-set options
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##############################################################################
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#print options
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prt_model = 0
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dipdip_prt = 0
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# Construction of harmonic lattice part
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ngqpt = 2 2 2
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dipdip = 1
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ncell = 2 2 2
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# Test the effective potential
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test_effpot = 1
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test_prt_ph = 0
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# Print the anharmonic part
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analyze_anh_pot = 1
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = multibinit
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#%% system_xml = t98_model.xml
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#%% test_set = t98.nc
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#%% test_chain = t98.abi, t99.abi, t100.abi
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#%% [files]
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#%% files_to_test =
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#%% t98.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
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#%% TES_fit_diff_anharmonic_terms_energy.dat, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = M. M. Schmitt
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#%% keywords = Effective potential, multibinit
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#%% description =
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#%% Test the test set option. Evaluate a given effective potential on a set of configurations.
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#%% topics = LatticeModel,DynamicsMultibinit
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#%%<END TEST_INFO>
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