Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
parser-gaussian
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
This is an archived project. Repository and other project resources are read-only.
Show more breadcrumbs
nomad-lab
parser-gaussian
Repository graph
Repository graph
You can move around the graph by using the arrow keys.
nomad-coe
Select Git revision
Branches
1
master
default
protected
Tags
8
legacy-metainfo
nomad-coe
preMetaRename
2.2.0
2.1.0
2.0.0
1.0.0
0.0.0
9 results
Begin with the selected commit
Created with Raphaël 2.2.0
11
Sep
10
29
Apr
23
Mar
20
19
13
12
6
12
Feb
6
16
Aug
10
Feb
8
26
Jan
20
Jul
13
26
Oct
12
Jul
31
Mar
21
Feb
9
Oct
14
Sep
13
9
25
Jul
21
19
8
5
23
Jun
22
21
20
10
19
May
17
16
11
28
Apr
22
15
30
Mar
15
11
1
23
Feb
22
10
4
29
Jan
13
18
Dec
16
Further update of README.md; mv metadata.yml -> metadata.yaml
master
master
Updated README.md; added metadata.yml; the lead branch is now master, inactive branches became tags
Imported fixes 1-11 @ nomad-lab/parser-gaussian#4 from @nomad-fair into @nomad-fair-metainfo
nomad-lab/parser-gaussian#4. Unavailable XC functionals. Fixes 2b and 11
legacy-metainfo
legacy-metainfo
Parser optimizations.
Remove dependency on old metainfo.
nomad-lab/parser-gaussian#4. Unavailable XC functionals. Fixes 9 and 10. v2
nomad-lab/parser-gaussian#4. Unavailable XC functionals. Fixes 9 and 10
Fixed gitignore.
Added metainfo python code.
nomad-lab/parser-gaussian#4. Unavailable XC functionals.Fixes 5+ and 8
nomad-lab/parser-gaussian#4. Unavailable XC functionals. Fixes 6-7
nomad-lab/parser-gaussian#4. Unavailable XC functionals. Fixes 1-5
parser-gaussian/issues/3#note_50717. Further updates to match current LibXC_v4.3.4
Gitlab parser-gaussian#3. Updated the dict that translates Gaussian XC-functional names into NOMAD convention (LibXC): B2PLYP, ROHF, CAM-B3LYP.
Fixed broken calc to system refs.
Removed scala files.
Fixed section partitioning error with section_system.
meta 2.0 changes
nomad-coe
nomad-coe
Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-gaussian
Updated copyright info.
Merge branch 'auto-license-info' into 'master'
Added copyright statements and license.
license header for scala files
preMetaRename
preMetaRename
Improved Gaussian parser with alternative parsing for eigenvalues and hybrid coefficients
Remove method strip in x_gaussian_settings
Gaussian parser metadata "configuration_periodic_dimensions" and "simulation_cell" defined for molecules
Changes to close x_gaussian_section_elstruc_method and section_XC_functionals properly
fixing infinite loop in frequences parsing
2.2.0
2.2.0
Last version of Gaussian parser
Updated version with all metadata
Last version of parser
Improved parser and some new test output files
2.1.0
2.1.0
Improved parser
Gaussian parser with ground and excited state energies
Gaussian parser with ground and excited state energies
Gaussian parser with ground and excited state energies
Gaussian parser with ground and excited state energies
Gaussian parser with ground and excited state energies
improve parser
Loading