v0.4.0

QuantumESPRESSOCommands v0.4.0

Diff since v0.3.4

v0.3.4

QuantumESPRESSOCommands v0.3.4

Diff since v0.3.3

Merged pull requests:

• Fix dir was not working because of addenv (#49) (@singularitti)

v0.3.3

QuantumESPRESSOCommands v0.3.3

Diff since v0.3.2

Merged pull requests:

• fix: Cmd.dir does not work, I have to use cd (#47) (@singularitti)

v0.3.2

QuantumESPRESSOCommands v0.3.2

Diff since v0.3.1

Merged pull requests:

• Remove arg error & Fix dir in makecmd (#45) (@singularitti)

v0.3.1

QuantumESPRESSOCommands v0.3.1

Diff since v0.3.0

Merged pull requests:

• hotfix: Remove use_script args in pw & PwxConfig, etc. (#43) (@singularitti)

v0.3.0

QuantumESPRESSOCommands v0.3.0

Diff since v0.2.1

Merged pull requests:

• New version: v0.2.1 (#35) (@singularitti)
• CompatHelper: bump compat for AbInitioSoftwareBase to 0.4, (keep existing compat) (#37) (@github-actions[bot])
• Rewrite new command configs (#38) (@singularitti)
• CompatHelper: add new compat entry for Compat at version 3, (keep existing compat) (#39) (@github-actions[bot])
• Fix makecmd & env, path, etc. (#40) (@singularitti)
• Fix docs (#41) (@singularitti)

v0.2.1

QuantumESPRESSOCommands v0.2.1

Diff since v0.2.0

Merged pull requests:

• New version: v0.2.0 (#33) (@singularitti)
• Fix docs of pw, etc. (#34) (@singularitti)

v0.2.0

QuantumESPRESSOCommands v0.2.0

Diff since v0.1.1

Closed issues:

• Register v0.1.1 (#27)

Merged pull requests:

• CompatHelper: bump compat for "AbInitioSoftwareBase" to "0.3" (#28) (@github-actions[bot])
• Add field use_script & redefine pw, etc. (#29) (@singularitti)
• Remove duplicated code in pw, ph, etc. (#30) (@singularitti)
• Fix docs (#31) (@singularitti)
• Fix tests (#32) (@singularitti)

v0.1.1

QuantumESPRESSOCommands v0.1.1

Diff since v0.1.0

Closed issues:

• Register v0.1.0 (#24)

Merged pull requests:

• CompatHelper: bump compat for "Configurations" to "0.16" (#26) (@github-actions[bot])

v0.1.0

QuantumESPRESSOCommands v0.1.0

Closed issues:

• Remove mpi & main options in commands, just use cfgfile (#22)

Merged pull requests:

• Implement pw, ph, q2r & matdyn functions (#1) (@singularitti)
• Allow using Mpiexec options & bug fixes (#2) (@singularitti)
• CompatHelper: bump compat for "Configurations" to "0.14" (#4) (@github-actions[bot])
• CompatHelper: bump compat for "Configurations" to "0.15" (#5) (@github-actions[bot])
• CompatHelper: bump compat for "Comonicon" to "0.11" (#6) (@github-actions[bot])
• Rename project from QuantumESPRESSOCli.jl to QuantumESPRESSOCommands.jl (#7) (@singularitti)
• Rename types & function (#9) (@singularitti)
• Rename materialize to readconfig, Remove script_dest in PwxConfig, add as_script in makecmd, Fix chdir is not used in makecmd (#10) (@singularitti)
• Fix path & file creation issue of makecmd (#12) (@singularitti)
• Use parentdir from AbInitioSoftwareBase.jl (#14) (@singularitti)
• CompatHelper: add new compat entry for "AbInitioSoftwareBase" at version "0.2" (#18) (@github-actions[bot])
• Add some docs (#19) (@singularitti)
• Fix some small bugs (#20) (@singularitti)
• Add some tests to makecmd (#21) (@singularitti)
• Remove mpi & main options in commands, just use cfgfile (#23) (@singularitti)