Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / pierrehirel/atomsk issues and pull requests

#63 - Change POLYCRYS Subroutine

Issue - State: open - Opened by jmeziere 2 months ago - 2 comments

#62 - Add Better Docs for C Bindings

Pull Request - State: closed - Opened by jmeziere 2 months ago - 2 comments

#61 - Broken by Last PR

Pull Request - State: closed - Opened by jmeziere 2 months ago

#60 - Add C Bindings to Atomsk

Pull Request - State: closed - Opened by jmeziere 2 months ago - 1 comment
Labels: Contribution

#59 - Would you like to provide two examples? Thanks!

Issue - State: open - Opened by zhangfq-chemistry 3 months ago - 2 comments
Labels: Question

#58 - polycrystal crashes when creating really huge sample (8 millions of atoms, 8 grains)

Issue - State: open - Opened by jfikar 3 months ago - 2 comments
Labels: Bug, Question

#57 - Cannot find the FUNCTION "FINDLOC"

Issue - State: closed - Opened by iamusen 7 months ago - 2 comments
Labels: Question

#56 - Create the nanotube and nanoscroll given in the examples of cif2tube.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 2 comments
Labels: Question

#55 - Can we create Nanoscrolls for TMDCs with the help of atomsk?

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 1 comment
Labels: Question

#54 - Parallel compilation of atomsk requires multiple runs of make.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 2 comments

#52 - Construct heterostructures based on CSL or Zur algorithms.

Issue - State: closed - Opened by hongyi-zhao 8 months ago - 1 comment
Labels: Question

#50 - Problem when using "--create ... random ..." to generate binary alloys

Issue - State: closed - Opened by c-uiiin 12 months ago - 2 comments
Labels: Question

#49 - Polycrystal is sometimes missing planes of atoms

Issue - State: closed - Opened by jfikar about 1 year ago - 4 comments
Labels: Question

#48 - How to determine the average grain size in atomsk?

Issue - State: closed - Opened by shujing1111 almost 2 years ago - 5 comments
Labels: Question

#47 - Maximum size of generation in polycrystal mode

Issue - State: closed - Opened by roshan4325 almost 2 years ago - 2 comments
Labels: Question

#46 - Issue with Polycrystal mode

Issue - State: closed - Opened by tcphan0601 about 2 years ago - 4 comments
Labels: Bug

#45 - Is it possible to create solid solution like Cd0.5Zn0.5S with atomsk?

Issue - State: closed - Opened by Satinelamp over 2 years ago - 2 comments
Labels: Question

#44 - Problem when using -properties.

Issue - State: closed - Opened by wilsonnieto over 2 years ago - 2 comments
Labels: Bug

#43 - Problems with VASP OUTCAR in mode --one-in-all

Issue - State: closed - Opened by kluophysics over 2 years ago - 5 comments
Labels: Question

#42 - Issue: Undefined memory access

Issue - State: closed - Opened by toor over 2 years ago - 7 comments
Labels: Bug

#41 - Fixed min and max coordinates in lammps output

Pull Request - State: closed - Opened by EricssonWilli over 2 years ago - 1 comment
Labels: Bug

#40 - atomsk --polycrystal gives errors on long angles X an Y

Issue - State: closed - Opened by jfikar almost 3 years ago - 2 comments
Labels: Bug

#39 - Ternary alloy supercell

Issue - State: closed - Opened by Karthik9805 almost 3 years ago - 2 comments
Labels: Question

#38 - Option: -disloc file filename nu seems to not work well

Issue - State: closed - Opened by lfbu almost 3 years ago - 4 comments
Labels: Bug

#37 - X!X ERROR: memory (RAM) is insufficient to perform this operation

Issue - State: closed - Opened by superssy about 3 years ago - 8 comments

#36 - Feature request: Option to convert file containing several snapshots to another format

Issue - State: closed - Opened by rashidrafeek about 3 years ago - 2 comments
Labels: Feature Request

#35 - Tag releases on Github

Issue - State: closed - Opened by jan-janssen over 3 years ago - 2 comments

#34 - lmp file has no pair coefficient generated from cif file

Issue - State: closed - Opened by jiamingl98 over 3 years ago - 1 comment
Labels: Question

#33 - A bug in -add-shells

Issue - State: closed - Opened by yfwang09 over 3 years ago - 4 comments
Labels: Bug

#32 - Atom missing when constructing hcp-Mg polycrystal

Issue - State: closed - Opened by XINGZheyuan-SWJTU over 3 years ago - 2 comments
Labels: Bug

#31 - BUG: Make error caused by `3700e23`

Issue - State: closed - Opened by mjclarke94 over 3 years ago - 2 comments
Labels: Bug

#30 - Feature request: Add option to redirect output to stdout rather than writing to disk

Issue - State: closed - Opened by mjclarke94 over 3 years ago - 6 comments
Labels: Feature Request

#29 - Polycrystal

Issue - State: closed - Opened by Tengfei-ZHENG over 3 years ago - 1 comment
Labels: Question

#28 - Polycrystals

Issue - State: closed - Opened by kedhar1992 over 3 years ago - 6 comments
Labels: Bug

#27 - implement C36 Laves phase

Pull Request - State: closed - Opened by zhuochengXIE almost 4 years ago - 2 comments
Labels: Contribution

#26 - dyld: Library not loaded: /usr/local/gfortran/lib/libquadmath.0.dylib

Issue - State: closed - Opened by nileshjchoudhary almost 4 years ago - 2 comments
Labels: Question

#25 - Number of atom types not updated when adding interstitial atoms to the lattice

Issue - State: closed - Opened by QLRO almost 4 years ago - 4 comments
Labels: Bug

#24 - Molecule ID limited to < 10000 when adding shells

Issue - State: closed - Opened by jarinfrench about 4 years ago - 4 comments
Labels: Bug

#23 - Create tetragonal L1_0 lattice

Pull Request - State: closed - Opened by jguenole over 4 years ago - 4 comments

#22 - Does atomsk consider the overlapping atoms at grain boudary?

Issue - State: closed - Opened by YoshieraHuang over 4 years ago - 1 comment
Labels: Question

#21 - Issues with orientation and conversion to JEMS

Issue - State: closed - Opened by JulioAzcarate over 4 years ago - 3 comments
Labels: Question

#20 - How to select random atoms within a specific region

Issue - State: closed - Opened by AIzquierdo2 almost 5 years ago - 5 comments
Labels: Question

#19 - atomsk `orient` doewsn't work if the working directory contains another directory named 1 or 2 !

Issue - State: closed - Opened by sphCow almost 5 years ago - 2 comments
Labels: Question

#18 - how to change lattice parameter of the substituting material?

Issue - State: closed - Opened by debopriyo-git almost 5 years ago - 3 comments
Labels: Question

#17 - When using OMP atom order is not always the same

Issue - State: closed - Opened by jfikar almost 5 years ago - 4 comments
Labels: Question

#16 - Polycrystal: occasional grain overlap

Issue - State: closed - Opened by jfikar about 5 years ago - 19 comments
Labels: Bug

#15 - Random orientation is the same for all grains if node positions are specified

Issue - State: closed - Opened by jfikar about 5 years ago - 2 comments
Labels: Bug

#14 - segmentation fault and stack smashing error

Issue - State: closed - Opened by nokyantenna about 5 years ago - 3 comments
Labels: Bug

#13 - hcp orient

Issue - State: closed - Opened by mastricker about 5 years ago - 2 comments
Labels: Question

#11 - Polycrystal orientations are not completely random

Issue - State: closed - Opened by jfikar about 5 years ago - 8 comments
Labels: Bug

#10 - Read atom index out of bounds

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

#9 - polycrystal: grain number one contains more atoms than it should

Issue - State: closed - Opened by jfikar over 5 years ago - 2 comments
Labels: Bug

#8 - BCC polycrystals with elongated grains contain a lot of non-BCC atoms

Issue - State: closed - Opened by jfikar over 5 years ago - 9 comments
Labels: Bug

#7 - Occasional missing atoms from grain boundary structure

Issue - State: closed - Opened by jarinfrench over 5 years ago - 2 comments
Labels: Bug

#6 - Grain boundary creation tutorial fails

Issue - State: closed - Opened by jarinfrench over 5 years ago - 2 comments
Labels: Bug

#5 - pw output read incorrectly

Issue - State: closed - Opened by jure91 about 6 years ago - 3 comments
Labels: Bug

#4 - Makefile.local requires access to /etc folder

Issue - State: closed - Opened by ombrophile about 6 years ago - 2 comments
Labels: Bug

#3 - Structure c14

Pull Request - State: closed - Opened by jguenole over 6 years ago

#2 - Support stru file type

Issue - State: closed - Opened by redoxmatlab almost 7 years ago - 3 comments
Labels: Feature Request

#1 - grainID

Issue - State: closed - Opened by Hubin-Luo almost 7 years ago - 5 comments
Labels: Bug