Ecosyste.ms: Issues

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GitHub / SPARC-X/sparc-dft-api issues and pull requests

#32 - Unexpected behavior in read()

Issue - State: open - Opened by ltimmerman3 10 months ago - 1 comment

#31 - Fix multiple calls to `SPARC.calculate`

Pull Request - State: closed - Opened by alchem0x2A 11 months ago

#30 - Slight addition to README

Pull Request - State: closed - Opened by ltimmerman3 11 months ago

#29 - Refine documentation and add conda support

Pull Request - State: closed - Opened by alchem0x2A 11 months ago

#28 - merge v0.2 branch to v1.0

Pull Request - State: closed - Opened by alchem0x2A 11 months ago

#27 - v0.2 update readme

Pull Request - State: closed - Opened by alchem0x2A 11 months ago

#26 - Add contributor guidelines

Pull Request - State: closed - Opened by alchem0x2A 12 months ago

#25 - various fixes

Pull Request - State: closed - Opened by alchem0x2A 12 months ago

#24 - Incorrect dateformat parsing

Issue - State: closed - Opened by alchem0x2A 12 months ago - 1 comment

#23 - Allow customized parameter set

Issue - State: closed - Opened by alchem0x2A about 1 year ago - 1 comment

#22 - Additional rules for parameters

Issue - State: closed - Opened by alchem0x2A about 1 year ago - 1 comment

#21 - Add contributor template

Issue - State: closed - Opened by alchem0x2A about 1 year ago - 1 comment

#20 - Additional DFT calls during ASE-geometric optimization

Issue - State: open - Opened by alchem0x2A about 1 year ago - 6 comments

#19 - Bug in reading geopt results for RELAX_FLAG: 2

Issue - State: closed - Opened by ltimmerman3 about 1 year ago - 2 comments

#18 - Bug in specifying mesh spacing

Issue - State: closed - Opened by ltimmerman3 about 1 year ago - 1 comment

#17 - Multi-image support in `sparc-ase gui`

Pull Request - State: closed - Opened by alchem0x2A about 1 year ago

#16 - v0.2 alpha testing

Pull Request - State: closed - Opened by alchem0x2A about 1 year ago - 2 comments

#15 - Complete a draft of README / workable API

Pull Request - State: closed - Opened by alchem0x2A about 1 year ago

#14 - Ion refactor

Pull Request - State: closed - Opened by JacksonKjar over 1 year ago - 1 comment

#13 - bug in interpret_kpoint_shift

Issue - State: open - Opened by bernstei over 1 year ago - 1 comment
Labels: bug

#12 - Small Updates

Pull Request - State: closed - Opened by bencomer over 1 year ago - 2 comments

#11 - Fixed error with checking for successful termination

Pull Request - State: closed - Opened by jparas-3 over 1 year ago

#10 - write_ions pseudopotential search functionality and docstring

Issue - State: open - Opened by bernstei over 1 year ago - 3 comments
Labels: enhancement

#9 - typo checking for possible mesh spacing inputs

Issue - State: closed - Opened by bernstei over 1 year ago - 3 comments

#8 - added method to interpret downsampling input

Pull Request - State: closed - Opened by nianhant about 2 years ago

#7 - add geopt-to-poscar tool AND make RAM-related error message clearer

Pull Request - State: closed - Opened by YorickAndeweg over 3 years ago
Labels: enhancement

#6 - python calculator doesn't support ECUT

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

#5 - non-default arguments

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

#4 - makefile assumes MKL scalapack and intel MPI

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

#3 - fixed incorrect .ion write when directory is not .

Pull Request - State: closed - Opened by ajmedford over 4 years ago - 2 comments

#2 - Rewrite

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

#1 - Rewrite

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