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correct bond table coefficients to find the table file

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This commit is contained in:
Axel Kohlmeyer
2020-05-30 17:22:33 -04:00
parent e32409d32c
commit 07163a710a
2 changed files with 10 additions and 10 deletions
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10
unittest/force-styles/tests/bond-table_linear.yaml
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@ -10,11 +10,11 @@ post_commands: ! ""
input_file: in.fourmol
bond_style: table linear 1000
bond_coeff: ! |
1 bond_table.txt harmonic_1
2 bond_table.txt harmonic_2
3 bond_table.txt harmonic_3
4 bond_table.txt harmonic_4
5 bond_table.txt harmonic_5
1 ${input_dir}/bond_table.txt harmonic_1
2 ${input_dir}/bond_table.txt harmonic_2
3 ${input_dir}/bond_table.txt harmonic_3
4 ${input_dir}/bond_table.txt harmonic_4
5 ${input_dir}/bond_table.txt harmonic_5
equilibrium: 1.5 1.1 1.3 1.2 1
extract: ! ""
natoms: 29

10
unittest/force-styles/tests/bond-table_spline.yaml
View File

@ -10,11 +10,11 @@ post_commands: ! ""
input_file: in.fourmol
bond_style: table spline 1000
bond_coeff: ! |
1 bond_table.txt harmonic_1
2 bond_table.txt harmonic_2
3 bond_table.txt harmonic_3
4 bond_table.txt harmonic_4
5 bond_table.txt harmonic_5
1 ${input_dir}/bond_table.txt harmonic_1
2 ${input_dir}/bond_table.txt harmonic_2
3 ${input_dir}/bond_table.txt harmonic_3
4 ${input_dir}/bond_table.txt harmonic_4
5 ${input_dir}/bond_table.txt harmonic_5
equilibrium: 1.5 1.1 1.3 1.2 1
extract: ! ""
natoms: 29