mirror of https://github.com/abinit/abinit.git
36 lines
1.2 KiB
Plaintext
36 lines
1.2 KiB
Plaintext
##############################################################################
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#Test for multibinit, just read xml and generate the effective potential into XML file
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# without regeneration of dipole-dipole just reading xml
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##############################################################################
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prt_model = 0
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dynamics = 101 # Velocity Verlet NVE
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ncell = 6 6 6
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temperature = 50
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ntime = 1000
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nctime = 10
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dtion = 10
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randomseed=111111 # for testing only
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = multibinit
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#%% exclude_builders = .*_nag_7.[012]_.*
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#%% latt_pot = t83.nc
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#%% exec_args = --F03
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#%% [files]
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#%% files_to_test =
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#%% t85.abo, tolnlines = 0, tolabs = 0.2, tolrel = 0.05, fld_options = -medium;
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = X. He
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#%% keywords = Effective potential, multibinit, lattpot
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#%% description =
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#%% Read netcdf and run lattice dynamics using Velocity Verlet NVE (dynamics=101)
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#%% Disabled on nag@abiref because integer overflow (-C=intovf option of NAG compiler)
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#%% is detected, which is needed by the random number generator.
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#%% The random number generator is in 28_numeric_noabirule/m_random_xoroshiro128plus.F90
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#%%<END TEST_INFO>
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