no need to list all dependencies. if atom style full is available, the rest is, too.
This commit is contained in:
@ -4,10 +4,7 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 2e-13
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix npt
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fix nph
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pre_commands: ! ""
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post_commands: ! |
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fix test solute nph aniso 1.0 1.0 100.0 ptemp ${t_target} fixedpoint 0.0 0.0 0.0 couple xy
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 2e-12
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix npt
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 5e-13
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix npt
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 5e-12
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix npt
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 1e-14
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix nve
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 5e-14
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix nvt
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 2.5e-13
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix rigid
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:15 202
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epsilon: 2.5e-13
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix rigid
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:16 202
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epsilon: 2.5e-13
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix rigid
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:16 202
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epsilon: 1e-14
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix setforce
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pre_commands: ! ""
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post_commands: ! |
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@ -4,9 +4,6 @@ date_generated: Sun Aug 9 07:12:16 202
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epsilon: 1e-14
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prerequisites: ! |
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atom full
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pair lj/cut
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bond harmonic
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angle harmonic
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fix temp/berendsen
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pre_commands: ! ""
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post_commands: ! |
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