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remove single precision floating point math and reformat

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This commit is contained in:
Axel Kohlmeyer
2021-07-04 18:23:03 -04:00
parent a61e79ad72
commit 455b7b9392
3 changed files with 121 additions and 115 deletions
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8
unittest/force-styles/tests/angle-fourier_simple.yaml
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@ -1,6 +1,6 @@
---
lammps_version: 10 Feb 2021
date_generated: Fri Feb 26 23:09:24 2021
lammps_version: 2 Jul 2021
date_generated: Sun Jul 4 18:23:42 2021
epsilon: 2.5e-13
prerequisites: ! |
atom full
@ -17,7 +17,7 @@ angle_coeff: ! |
equilibrium: 4 3.141592653589793 1.5707963267948966 1.0471975511965976 2.0943951023931953
extract: ! ""
natoms: 29
init_energy: 2474.07480135906
init_energy: 2474.0748013590646
init_stress: ! |-
-7.0442354264952769e+00 2.2461003781604686e+02 -2.1756580238955158e+02 -3.3320762800031582e+02 -2.8001007053395438e+02 3.7586975072452852e+01
init_forces: ! |2
@ -50,7 +50,7 @@ init_forces: ! |2
27 1.3169752428031160e+01 -1.0811335053602835e+02 3.6826995619636030e+01
28 2.8796447607995553e+01 6.4642561032416026e+01 -1.5016412228095177e+00
29 -4.1966200036026713e+01 4.3470789503612323e+01 -3.5325354396826512e+01
run_energy: 2473.12574569709
run_energy: 2473.1257456970907
run_stress: ! |-
-4.9754396810415287e+00 2.2858091244313221e+02 -2.2360547276209070e+02 -3.3609442061303969e+02 -2.8303432598637687e+02 3.9880332185018744e+01
run_forces: ! |2