truncate coefficient output to 8 digits precision that are reproducible

This commit is contained in:
Axel Kohlmeyer
2022-12-01 01:12:26 -05:00
parent 61c4953119
commit a346d7c6ca
5 changed files with 565 additions and 563 deletions

View File

@ -1,6 +1,6 @@
---
lammps_version: 3 Nov 2022
date_generated: Thu Dec 1 00:49:30 2022
date_generated: Thu Dec 1 01:09:50 2022
epsilon: 5e-11
skip_tests:
prerequisites: ! |
@ -15,142 +15,142 @@ pair_coeff: ! |
* * Ta_param.pod Ta_coeff.pod Ta Ta Ta Ta Ta Ta Ta Ta
extract: ! ""
natoms: 64
init_vdwl: -528.1552475714037
init_vdwl: -528.1552222626505
init_coul: 0
init_stress: ! |2-
1.0808430278791604e+01 4.5447923462433053e+00 1.8219653020490711e+01 -2.9415157264689455e+01 1.1559818015128351e+02 -1.5277730376124672e+00
1.0808478548614120e+01 4.5448406403687569e+00 1.8219701107372927e+01 -2.9415157048163181e+01 1.1559817913565885e+02 -1.5277730913809959e+00
init_forces: ! |2
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run_coul: 0
run_stress: ! |2-
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run_forces: ! |2
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...