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ctest update of ref energy with correct sccor values
[unres.git]
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ctest
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2016-03-15
Cezary Czaplewski
ctest update of ref energy with correct sccor values
tree
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commitdiff
2016-03-14
Cezary Czaplewski
ctest wsccor 0.25 wtor 1.34316 in all tests
tree
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commitdiff
2016-03-12
Cezary Czaplewski
ctest ENE changed to minimize unres_pdb structure
tree
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commitdiff
2016-03-11
Cezary Czaplewski
ctest cluster int for csa output
tree
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commitdiff
2016-03-10
Cezary Czaplewski
ctest correction to previous commit
tree
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commitdiff
2016-03-10
Cezary Czaplewski
corrections to cluster_wham
tree
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commitdiff
2016-03-10
Cezary Czaplewski
ctest wham
tree
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commitdiff
2016-03-09
Cezary Czaplewski
ctest corrections to mpi script and remd test
tree
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commitdiff
2016-03-09
Cezary Czaplewski
ctest for remd
tree
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commitdiff
2016-03-08
Cezary Czaplewski
ctest local csa added with 4P force field
tree
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commitdiff
2016-03-08
Cezary Czaplewski
ctest correction to previous commit
tree
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commitdiff
2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
tree
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commitdiff
2016-03-04
Cezary Czaplewski
ctest tolerance for csa emin inreased to 5.0
tree
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commitdiff
2016-03-02
Cezary Czaplewski
ctest for CSA global with 4P force field
tree
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commitdiff
2016-03-02
Cezary Czaplewski
ctest for internal coordinates and regular minimization
tree
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for minimization and microcanonical MD
tree
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
tree
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commitdiff
2012-06-27
Dawid Jagiela
1) added ctests for xdrf2pdb-m 2) cleanup
tree
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
tree
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commitdiff
2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
tree
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commitdiff