arvk/EZFF issues and pull requests

#26 - Merging with updated EZFF

Pull Request - State: closed - Opened by akvatol 9 months ago

#25 - Add GrEA solver

Issue - State: open - Opened by arvk over 1 year ago
Labels: enhancement

#24 - Add MTL solvers

Issue - State: open - Opened by arvk over 1 year ago
Labels: enhancement

#23 - Add MOBO optimizer routine

Issue - State: closed - Opened by arvk over 1 year ago - 1 comment
Labels: enhancement

#22 - Add more units in the convert_units util

Issue - State: open - Opened by arvk over 5 years ago
Labels: enhancement

#21 - Add option to use serial LAMMPS as MD calculator

Issue - State: closed - Opened by arvk almost 6 years ago - 1 comment
Labels: enhancement, wontfix

#20 - Charge and bug fixes to reax utility

Pull Request - State: closed - Opened by AnkitMish almost 6 years ago - 1 comment

#19 - Add option to use Serial RXMD as a MD calculator

Issue - State: closed - Opened by arvk almost 6 years ago - 1 comment
Labels: enhancement

#18 - Qeq paramter updates

Pull Request - State: closed - Opened by AnkitMish almost 6 years ago

#17 - Set r to 1e-5 to suppress double-bond and triple-bond bond-order parameters if there are no triple- or double-bonds

Issue - State: closed - Opened by arvk almost 6 years ago - 1 comment
Labels: bug

#16 - Provide user-controllable mutation/crossover ratios

Issue - State: closed - Opened by arvk almost 6 years ago - 2 comments
Labels: enhancement

#15 - Replace verbose flags with the standard logging module

Issue - State: open - Opened by arvk almost 6 years ago
Labels: enhancement

#14 - OOP-ize error calculation

Issue - State: closed - Opened by arvk almost 6 years ago - 1 comment
Labels: enhancement, revise examples

#13 - Provide error_atomic_distortion

Issue - State: closed - Opened by arvk about 6 years ago - 1 comment
Labels: enhancement, good first issue

#12 - Singlet/Triplet ground states

Issue - State: closed - Opened by arvk about 6 years ago
Labels: enhancement, wontfix

#11 - Restart optimization / Switch algorithms

Issue - State: closed - Opened by arvk about 6 years ago - 3 comments
Labels: enhancement

#10 - Add functions to enable optimization of QEq parameters

Issue - State: closed - Opened by arvk about 6 years ago - 3 comments
Labels: enhancement, good first issue

#9 - Unit tests

Issue - State: open - Opened by arvk about 6 years ago - 1 comment
Labels: enhancement, help wanted

#8 - Add to PyPI

Issue - State: closed - Opened by arvk about 6 years ago - 1 comment

#7 - Style guide compatibility

Issue - State: open - Opened by arvk about 6 years ago
Labels: enhancement, good first issue

#6 - Add documentation

Issue - State: closed - Opened by arvk about 6 years ago - 1 comment
Labels: enhancement

#5 - License issue with attached script