Modified RB and Periodic torsions - #615

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bc118 wants to merge 19 commits into

mosdef-hub:old_mainfrom

bc118:mod_std_torsions

Commits on Dec 15, 2021

modified torsion potentials and added new Mie potential
bc118
committed
4fb9c1f
modified torsion potentials and added new Mie potential
bc118
committed
804b1fe
changed periodic torsion constant
bc118
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391e356

Commits on Dec 17, 2021

removed the MiePotential_n_6.json file
bc118
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09ff27c
changed RB RyckaertBellemansTorsionPotential.json angle to psi
bc118
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721d9ca
fix tests for changing RB phi to psi
bc118
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c7dbac1
fix tests 2 for changing RB phi to psi
bc118
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60a5150
fix tests 3 for modifying periodic formulas.
bc118
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7345ba2
fix tests 4 changed files xmls from RB phi to psi.
bc118
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ab379cb
fix tests 4 changed files xmls from RB phi to psi.
bc118
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18b9b4d
fix tests 4 changed files xmls from RB phi to psi.
bc118
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29bddb8
Merge branch 'mosdef-hub:master' into mod_std_torsions
bc118
authored
5815d7b
changed RB from phi to psi in convert_foyer_xml.py
bc118
committed
8ac6eb7
changed RB from phi to psi in convert_foyer_xml.py
bc118
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2af112e
changed c_x to cx for RB torsions in test_reference_xmls.py
bc118
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462dfe3
fix test_forcefield related bugs
daico007
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bc70b10
Change phi to psi in convert_parmed
daico007
committed
e4432de

Commits on Jan 4, 2022

Merge branch 'master' into mod_std_torsions
daico007
authored
c44a03d

Commits on Feb 10, 2022

Merge branch 'master' into mod_std_torsions
daico007
authored
37797b0