Ecosyste.ms: Issues

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GitHub / iRASPA/RASPA2 issues and pull requests

#50 - Installation issue

Issue - State: open - Opened by thenandirajib over 1 year ago

#41 - Installation

Issue - State: open - Opened by ssadman2 over 1 year ago

#40 - Partition function for propene

Issue - State: open - Opened by w-wonder-2023 over 1 year ago

#39 - RASPA for a database

Issue - State: open - Opened by alireza68hadi almost 2 years ago - 2 comments

#38 - Set BoundaryCondition to CUBIC when possible

Pull Request - State: open - Opened by Liozou about 2 years ago

#37 - Unable to run RASPA2 simulation

Issue - State: open - Opened by silabrata about 2 years ago - 1 comment

#36 - Installation not working in RASPA2 directory

Issue - State: open - Opened by sibo over 2 years ago - 2 comments

#35 - Average Widom Rosenbluth factor for quartz

Issue - State: closed - Opened by TMuther over 2 years ago

#34 - Missing molecules/* files ?

Issue - State: open - Opened by paulboone almost 3 years ago

#33 - commmand not found

Issue - State: open - Opened by mamadahmadii almost 3 years ago

#31 - p_1 of MORSE2* potentials should be labeled as unitless

Issue - State: closed - Opened by dcyang almost 3 years ago - 1 comment

#29 - Installation not working with Intel

Issue - State: open - Opened by sdpb about 3 years ago - 1 comment

#28 - Potential bug installing RASPA in Ubuntu 20.10

Issue - State: open - Opened by lfsalasg about 3 years ago

#27 - Cannot run "make install" on Mac OS 10.15.7

Issue - State: closed - Opened by amoghc26 about 3 years ago

#26 - Error opening input-file

Issue - State: open - Opened by nk1945 over 3 years ago

#25 - Some provided MOFs are not charge-balanced

Issue - State: open - Opened by arosen93 over 3 years ago

#24 - zif 11 and zif 12 structures identical

Issue - State: open - Opened by ltalirz over 3 years ago - 1 comment

#23 - Issue with Ethene adsorption calculations in MOF

Issue - State: closed - Opened by Sridhar-hub over 3 years ago - 1 comment

#22 - readme: add links to docs

Pull Request - State: closed - Opened by ltalirz over 3 years ago - 1 comment

#21 - Support Open Babel >3 in python interface

Pull Request - State: closed - Opened by patrickfuller over 3 years ago - 1 comment

#20 - Revert "corrected the formula to compute the reduced mass"

Pull Request - State: closed - Opened by dubbelda over 3 years ago

#19 - corrected the formula to compute the reduced mass

Pull Request - State: closed - Opened by nakulrampal over 3 years ago - 6 comments

#18 - Molecular trajectories during MSD simulation

Issue - State: closed - Opened by sli259 over 3 years ago - 1 comment

#17 - Documentation - pdf manual

Issue - State: open - Opened by MichalTra almost 4 years ago - 4 comments

#16 - Charge Equilibration leads to Segmentation Fault

Issue - State: open - Opened by neumannrf almost 4 years ago - 1 comment

#15 - Cleanup

Pull Request - State: closed - Opened by ltalirz almost 4 years ago

#14 - conda package

Issue - State: closed - Opened by ltalirz almost 4 years ago - 2 comments

#13 - empty changelog?

Issue - State: closed - Opened by ltalirz almost 4 years ago - 2 comments

#12 - test suite for continuous integration?

Issue - State: open - Opened by ltalirz almost 4 years ago

#11 - memory leaks?

Issue - State: closed - Opened by ltalirz almost 4 years ago - 1 comment

#10 - Problems in RASPA2 installation

Issue - State: closed - Opened by zwang1995 about 4 years ago

#9 - Python interface `RASPA2.run()` fails for `v2.0.38`

Issue - State: closed - Opened by neumannrf about 4 years ago - 1 comment

#8 - Visualization with raspa2.0

Issue - State: closed - Opened by assoua over 4 years ago - 3 comments

#7 - Installation

Issue - State: closed - Opened by sli259 over 4 years ago - 8 comments

#6 - LICENSE

Issue - State: closed - Opened by dejac001 over 4 years ago - 1 comment

#5 - Wrong atomtype in TraPPE trans-butene molecule

Issue - State: closed - Opened by MichalTra over 4 years ago - 1 comment

#4 - Ammonia partition function

Issue - State: open - Opened by cheathturner almost 5 years ago

#3 - Typo in conversion factor

Issue - State: closed - Opened by danieleongari about 5 years ago - 2 comments

#2 - Problem in declaring RASPA_DIR

Issue - State: closed - Opened by pzarabadip over 5 years ago - 1 comment

#1 - FEYNMAN HIBBS LENNARD JONES

Issue - State: closed - Opened by shaochenzhang over 5 years ago - 1 comment