add missing coefficiencts to data file. no more need to set afterwards

2021-02-24 20:42:25 -05:00
parent 785e1ca9f5
commit a0a865643e
2 changed files with 13 additions and 2 deletions
--- a/unittest/force-styles/tests/data.fourmol
+++ b/unittest/force-styles/tests/data.fourmol
@ -46,6 +46,19 @@ Angle Coeffs # zero
 3 120
 4 108.5

+Dihedral Coeffs # zero
+
+1
+2
+3
+4
+5
+
+Improper Coeffs # zero
+
+1
+2
+
 Atoms # full

 10 2 1 7.0000000000000007e-02 2.0185283555536988e+00 -1.4283966846517357e+00 -9.6733527271133024e-01 0 0 0
--- a/unittest/force-styles/tests/in.fourmol
+++ b/unittest/force-styles/tests/in.fourmol
@ -28,5 +28,3 @@ dihedral_style   ${dihedral_style}
 improper_style   ${improper_style}

 read_data        ${data_file}
-if "${dihedral_style} == zero" then "dihedral_coeff *"
-if "${improper_style} == zero" then "improper_coeff *"