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59c5a62a00a394b5fc939f247c28fab842fa35bd
lammps/unittest/force-styles/tests
History
abhishandy 59c5a62a00 Merge branch 'angle-tests-Aug4' into pair-tests-aug4
2020-08-04 02:16:57 -04:00
..
angle_table.txt
output endpoint gradient for some angle tabulations
2020-05-30 21:36:47 -04:00
angle-charmm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-class2_p6.yaml
unit tests for angle-class2/p6, angle-cross and angle-mm3
2020-08-04 02:15:11 -04:00
angle-class2.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine_delta.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine_periodic.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine_shift_exp.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine_shift.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine_squared.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cosine.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-cross.yaml
unit tests for angle-class2/p6, angle-cross and angle-mm3
2020-08-04 02:15:11 -04:00
angle-fourier_simple.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-fourier.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-harmonic.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-hybrid.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-mm3.yaml
unit tests for angle-class2/p6, angle-cross and angle-mm3
2020-08-04 02:15:11 -04:00
angle-quartic.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-table_linear.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-table_spline.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
angle-zero.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-adp.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-atm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-beck.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-born.yaml
simple test for pair-born
2020-07-30 03:30:57 -04:00
atomic-pair-eam_alloy_real.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_alloy.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_cd_old.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_cd_real.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_cd.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_fs_real.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_fs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam_real.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eam.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-eim.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-hybrid-eam_fs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-hybrid-eam.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-kim_lj.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-polymorphic_eam.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-table_bitmap.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-table_linear.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-table_lookup.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
atomic-pair-table_spline.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond_table.txt
add endpoint gradients for two bond tables
2020-05-30 21:49:42 -04:00
bond-class2.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-gromos.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-harmonic_shift_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-harmonic_shift.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-harmonic.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-hybrid.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-mm3.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-morse.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-nonlinear.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-table_linear.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-table_spline.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
bond-zero.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
data.airebo
add tests for AIREBO/REBO family of potentials
2020-05-27 16:37:36 -04:00
data.fourmol
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
data.manybody
add tests for pair styles adp, atm, sw and tersoff and new data/input
2020-05-26 18:22:21 -04:00
data.manybody-charge
add tests for comb and comb3
2020-05-26 19:58:24 -04:00
data.metal
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
gen_angle_table.py
output endpoint gradient for some angle tabulations
2020-05-30 21:36:47 -04:00
in.airebo
add tests for AIREBO/REBO family of potentials
2020-05-27 16:37:36 -04:00
in.fourmol
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
in.manybody
add tests for pair styles adp, atm, sw and tersoff and new data/input
2020-05-26 18:22:21 -04:00
in.manybody-charge
add tests for comb and comb3
2020-05-26 19:58:24 -04:00
in.metal
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
kspace-ewald_disp.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-ewald.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-msm_cg.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-msm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-pppm_cg.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-pppm_disp_tip4p.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-pppm_disp.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-pppm_tip4p.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
kspace-pppm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-airebo_00.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-airebo_m00.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-airebo_m.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-airebo.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-bop_save.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-bop.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-comb3.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-comb.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-gw_zbl.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-gw.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-lcbop.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-mliap_snap_chem.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-mliap_snap.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-nb3b_harmonic.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-polymorphic_sw.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-polymorphic_tersoff.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-rebo.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-snap_chem.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-snap.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-sw-multi.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-sw.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-tersoff_mod_c.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-tersoff_mod.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-tersoff_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-tersoff_zbl.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-tersoff.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-vashishta_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
manybody-pair-vashishta.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-beck.yaml
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
mol-pair-born_coul_dsf.yaml
passing tests for born-coul, gauss and yukawa
2020-08-03 05:59:44 -04:00
mol-pair-born_coul_long_cs.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-born_coul_long.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-born_coul_msm.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-born_coul_wolf.yaml
passing tests for born-coul, gauss and yukawa
2020-08-03 05:59:44 -04:00
mol-pair-born.yaml
unit tests for born, buck, lj96 and mie cut
2020-07-31 11:46:51 -04:00
mol-pair-buck_coul_cut.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-buck_coul_long.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-buck_coul_msm.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-buck_mdf.yaml
test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
2020-08-03 20:07:24 -04:00
mol-pair-buck.yaml
unit tests for few buck/coul and born/coul; remove mixing from buck
2020-08-01 08:52:07 -04:00
mol-pair-cosine_squared.yaml
test for cosine/squared
2020-08-03 20:48:11 -04:00
mol-pair-coul_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_debye.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_dsf.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_long_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_msm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_table_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_wolf_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-coul_wolf.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-gauss.yaml
passing tests for born-coul, gauss and yukawa
2020-08-03 05:59:44 -04:00
mol-pair-hybrid-overlay.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-hybrid.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lennard_mdf.yaml
fix error in determining A/B parameters. outputs now match lj/mdf as expected.
2020-07-30 11:44:37 -04:00
mol-pair-lj96_cut.yaml
unit tests for born, buck, lj96 and mie cut
2020-07-31 11:46:51 -04:00
mol-pair-lj_charmm_coul_charmm_implicit.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmm_coul_charmm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmm_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmm_coul_msm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmm_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmmfsw_coul_charmmfsw.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmmfsw_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_charmmfsw_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2_coul_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2_coul_long_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2_coul_table_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_class2.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cubic.yaml
tweak potential parameters for better stability of test run
2020-08-01 14:05:27 -04:00
mol-pair-lj_cut_coul_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_debye.yaml
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
mol-pair-lj_cut_coul_dsf.yaml
unit tests for few LJ derivatives and ZBL
2020-08-01 07:39:33 -04:00
mol-pair-lj_cut_coul_long_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_msm.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_table_cs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_coul_wolf.yaml
fix missing initialization bug in lj/cut/coul/wolf and update reference data
2020-08-01 14:18:40 -04:00
mol-pair-lj_cut_tip4p_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut_tip4p_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_expand.yaml
tweak parameters for lj/expand to stabilize test run
2020-08-01 14:24:50 -04:00
mol-pair-lj_gromacs_coul_gromacs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_gromacs.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_long_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_long_tip4p_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_mdf.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_smooth_linear.yaml
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
mol-pair-lj_smooth.yaml
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
mol-pair-lj_table_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-lj_table_tip4p_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-mie_cut.yaml
diversify exponents in mie/cut test
2020-07-31 12:11:24 -04:00
mol-pair-morse.yaml
unit tests for beck, morse, and few LJ derivatives
2020-08-01 07:27:39 -04:00
mol-pair-nm_cut_coul_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-nm_cut_coul_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-nm_cut_coul_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-nm_cut.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-soft.yaml
passing test for soft
2020-08-03 06:23:23 -04:00
mol-pair-table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-tip4p_long.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-tip4p_table.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
mol-pair-ufm.yaml
update test reference data for pair style ufm
2020-08-03 08:01:37 -04:00
mol-pair-yukawa.yaml
passing tests for born-coul, gauss and yukawa
2020-08-03 05:59:44 -04:00
mol-pair-zbl.yaml
correct data file output format for ZBL style. update reference output.
2020-08-01 14:43:14 -04:00
mol-pair-zero.yaml
update all force style reference results after refactoring of test codes
2020-07-12 20:36:10 -04:00
pair_table_beck.txt
add unit conversion test files for styles with conversion in the compute function
2020-06-25 12:28:06 -04:00
pair_table_bitmap.txt
add tests for pair style table
2020-06-02 17:12:52 -04:00
pair_table_lj_cut.txt
add tests for pair style table
2020-06-02 17:12:52 -04:00