 ../
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element.txt
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760
(19 years ago)
by tim:
adding openbabel data files
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WATER.frc
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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SuttonChen.frc
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1279
(17 years ago)
by gezelter:
All Your Base are belong to us!
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SuttonChen.SC.frc
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1279
(17 years ago)
by gezelter:
All Your Base are belong to us!
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SuttonChen.QSC.frc
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1279
(17 years ago)
by gezelter:
All Your Base are belong to us!
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Pt.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pt.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pt.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pd.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pd.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Pd.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ni.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ni.u3.funcfl
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1024
(19 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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Ni.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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MnM.frc
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1390
(15 years ago)
by gezelter:
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
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Makefile
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1604
(14 years ago)
by jmichalk:
This commit should allow EADM simulations to be run on the cluster. Main additions include EADM_FF.hpp/cpp as well as a system dipole correlation option in DynamicProps.
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EAM.u6.frc
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1279
(17 years ago)
by gezelter:
All Your Base are belong to us!
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EAM.u3.frc
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1279
(17 years ago)
by gezelter:
All Your Base are belong to us!
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EAM.frc
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1449
(15 years ago)
by gezelter:
Aluminum fixes
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EAM.VC.frc
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1449
(15 years ago)
by gezelter:
Aluminum fixes
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EADM.frc
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1607
(14 years ago)
by jmichalk:
Added the EADM.frc forcefield file -JRM
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DUFF2.frc
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1556
(14 years ago)
by chuckv:
Changed DUFF to match new option section format.
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Cu.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Cu.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Cu.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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CLAYFF.frc
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1314
(17 years ago)
by gezelter:
fixed a few bugs in the options, added base atom types
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Au.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Au.u3.funcfl
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1024
(19 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
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Au.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Amber.frc
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1563
(14 years ago)
by gezelter:
Matched default Charges for OH and HO (Hydroxyl) to the values from
OPLS paper.
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Amber.99.frc
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1363
(16 years ago)
by gezelter:
Adding alternate water models to Amber parameters. The approved model
for Amber is still TIP3P, but if you want reasonable water dynamics,
you need SPC/E. OOPSE/OpenMD will now give you the choice.
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Al.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ag.u6.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ag.u3.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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Ag.VC.funcfl
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2
(21 years ago)
by gezelter:
Import of OOPSE v. 2.0
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