remove copies

This commit is contained in:
Axel Kohlmeyer
2022-11-30 19:22:59 -05:00
parent 6966a0726b
commit 13d1ce38d2
2 changed files with 0 additions and 65 deletions

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POD_coefficients: 32
-4.443926077098761418
4.2507783817509592339
-2.3176356302127896214
-3.9221278398684784605
0.83911958461214997129
-0.79841449734252079029
0.26378941721655152497
-21.611634136626200586
-15.666044232814460457
-39.29944326792482201
8.1344792452082685941
-42.618960929128391513
2.8389668623167838568
3.7860858047706988927
5.3302522869881912015
0.068458969304951933221
2.9641410087664388229
0.093199096723738703019
-0.18687412923621199434
-0.24053991546811676061
-0.16710193675730081186
0.53880267211977672659
0.022340165031980874916
-0.0016838394567211768457
0.024818837996861804751
-0.005125945253867680157
0.076934015079245715585
-0.058872357353699972249
-0.055300488883823724351
-0.12649098515466200565
0.11729161170526267166
0.0026962161198949207916

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# DATE: 2022-11-28 UNITS: metal CONTRIBUTOR: Ngoc Cuong Nguyen, exapde@gmail.com CITATION: https://arxiv.org/abs/2209.02362
# chemical element symbols
species Ta
# periodic boundary conditions
pbc 1 1 1
# inner cut-off radius
rin 1.0
# outer cut-off radius
rcut 5.0
# polynomial degrees for radial basis functions
bessel_polynomial_degree 3
inverse_polynomial_degree 6
# one-body potential
onebody 1
# two-body linear POD potential
twobody_number_radial_basis_functions 6
# three-body linear POD potential
threebody_number_radial_basis_functions 5
threebody_number_angular_basis_functions 5
# four-body linear SNAP potential
fourbody_snap_twojmax 0
# quadratic POD potential
quadratic_pod_potential 0