lab-cosmo/librascal issues and pull requests

#100 - added empty line removal to clang-format

Pull Request - State: closed - Opened by mastricker over 5 years ago - 3 comments

#99 - cpplint complains about blank lines that clang-format doesn't remove

Issue - State: closed - Opened by max-veit over 5 years ago - 2 comments

#98 - SOAP gradients

Pull Request - State: closed - Opened by max-veit over 5 years ago - 62 comments

#98 - SOAP gradients

Pull Request - State: closed - Opened by max-veit over 5 years ago - 62 comments

#97 - Memory error when dereferencing StructureManager iterators (unintuitive behaviour)

Issue - State: open - Opened by max-veit over 5 years ago - 19 comments
Labels: bug, duplicate

#97 - Memory error when dereferencing StructureManager iterators (unintuitive behaviour)

Issue - State: open - Opened by max-veit over 5 years ago - 19 comments
Labels: bug, duplicate

#96 - Change unit abbreviation for ångströms ("A" ↦ "AA")

Issue - State: closed - Opened by max-veit over 5 years ago - 3 comments
Labels: maintenance

#95 - Add tests for get_property and create_property

Issue - State: closed - Opened by agoscinski over 5 years ago - 1 comment
Labels: bug

#95 - Add tests for get_property and create_property

Issue - State: closed - Opened by agoscinski over 5 years ago - 1 comment
Labels: bug

#94 - Forwarding of get_property

Issue - State: closed - Opened by agoscinski over 5 years ago - 1 comment
Labels: bug

#93 - Feat/soap improvements

Pull Request - State: closed - Opened by felixmusil over 5 years ago - 2 comments
Labels: enhancement

#93 - Feat/soap improvements

Pull Request - State: closed - Opened by felixmusil over 5 years ago - 2 comments
Labels: enhancement

#92 - Bug/#84 86

Pull Request - State: closed - Opened by agoscinski over 5 years ago - 17 comments

#92 - Bug/#84 86

Pull Request - State: closed - Opened by agoscinski over 5 years ago - 17 comments

#91 - Default Functions for all StructureManagerImplementations

Issue - State: closed - Opened by agoscinski over 5 years ago - 1 comment
Labels: enhancement, help wanted

#91 - Default Functions for all StructureManagerImplementations

Issue - State: closed - Opened by agoscinski over 5 years ago - 1 comment
Labels: enhancement, help wanted

#90 - Stacking like AdaptorStrict<AdapterMaxOrder<...>...> should be captured by AdaptorStrict and throw an error

Issue - State: open - Opened by agoscinski over 5 years ago
Labels: invalid

#90 - Stacking like AdaptorStrict<AdapterMaxOrder<...>...> should be captured by AdaptorStrict and throw an error

Issue - State: open - Opened by agoscinski over 5 years ago
Labels: invalid

#89 - Feat/soap dot

Pull Request - State: closed - Opened by felixmusil over 5 years ago - 1 comment

#88 - Feat/soap

Pull Request - State: closed - Opened by felixmusil over 5 years ago - 4 comments

#87 - The Iterator object creating a ClusterRef object is deleted while the ClusterRef object is still in use

Issue - State: closed - Opened by agoscinski over 5 years ago - 4 comments
Labels: invalid

#87 - The Iterator object creating a ClusterRef object is deleted while the ClusterRef object is still in use

Issue - State: closed - Opened by agoscinski over 5 years ago - 4 comments
Labels: invalid

#86 - implement in structure_manager.hh a conditional get_distance that looks at the stack if any has the trait HasDistance is true.

Issue - State: open - Opened by felixmusil over 5 years ago - 4 comments
Labels: bug

#86 - implement in structure_manager.hh a conditional get_distance that looks at the stack if any has the trait HasDistance is true.

Issue - State: open - Opened by felixmusil over 5 years ago - 4 comments
Labels: bug

#85 - the creation of a property should always be done with a future function called create_property that only takes order, and size.

Issue - State: closed - Opened by felixmusil over 5 years ago
Labels: bug

#85 - the creation of a property should always be done with a future function called create_property that only takes order, and size.

Issue - State: closed - Opened by felixmusil over 5 years ago
Labels: bug

#84 - Add missing functionality to the properties so that one can access with the last index of the clusterRef.

Issue - State: closed - Opened by felixmusil over 5 years ago
Labels: bug

#84 - Add missing functionality to the properties so that one can access with the last index of the clusterRef.

Issue - State: closed - Opened by felixmusil over 5 years ago
Labels: bug

#83 - Feat/test key standardisation

Pull Request - State: closed - Opened by mastricker over 5 years ago - 3 comments

#83 - Feat/test key standardisation

Pull Request - State: closed - Opened by mastricker over 5 years ago - 3 comments

#82 - Feat/how to rep

Pull Request - State: closed - Opened by felixmusil over 5 years ago

#81 - Feat/how to rep

Pull Request - State: closed - Opened by mastricker over 5 years ago

#80 - Rationale on update_self with species_manager in docs

Issue - State: open - Opened by mastricker over 5 years ago
Labels: question

#80 - Rationale on update_self with species_manager in docs

Issue - State: open - Opened by mastricker over 5 years ago
Labels: question

#79 - Feat/species filter units

Pull Request - State: closed - Opened by mastricker over 5 years ago - 1 comment

#79 - Feat/species filter units

Pull Request - State: closed - Opened by mastricker over 5 years ago - 1 comment

#78 - Feat/fix rec update

Pull Request - State: closed - Opened by felixmusil almost 6 years ago - 4 comments

#78 - Feat/fix rec update

Pull Request - State: closed - Opened by felixmusil almost 6 years ago - 4 comments

#77 - Different radial basis implementations in spherical expansion

Issue - State: closed - Opened by max-veit almost 6 years ago - 1 comment
Labels: enhancement

#77 - Different radial basis implementations in spherical expansion

Issue - State: closed - Opened by max-veit almost 6 years ago - 1 comment
Labels: enhancement

#76 - SOAP gradients

Issue - State: closed - Opened by max-veit almost 6 years ago

#76 - SOAP gradients

Issue - State: closed - Opened by max-veit almost 6 years ago

#75 - SOAP representation manager

Issue - State: closed - Opened by max-veit almost 6 years ago

#75 - SOAP representation manager

Issue - State: closed - Opened by max-veit almost 6 years ago

#74 - Multi-species SOAP

Issue - State: closed - Opened by max-veit almost 6 years ago
Labels: enhancement

#74 - Multi-species SOAP

Issue - State: closed - Opened by max-veit almost 6 years ago
Labels: enhancement

#73 - Feat/only cosmetics

Pull Request - State: closed - Opened by mastricker almost 6 years ago - 5 comments

#73 - Feat/only cosmetics

Pull Request - State: closed - Opened by mastricker almost 6 years ago - 5 comments

#72 - Single-species scalar SOAP

Pull Request - State: closed - Opened by max-veit almost 6 years ago - 1 comment

#72 - Single-species scalar SOAP

Pull Request - State: closed - Opened by max-veit almost 6 years ago - 1 comment

#71 - change options handling of the representations

Pull Request - State: closed - Opened by felixmusil almost 6 years ago

#70 - patch up the broken recursive update

Issue - State: closed - Opened by felixmusil almost 6 years ago
Labels: bug, enhancement

#70 - patch up the broken recursive update

Issue - State: closed - Opened by felixmusil almost 6 years ago
Labels: bug, enhancement

#69 - Feat/fix instal

Pull Request - State: closed - Opened by felixmusil almost 6 years ago - 8 comments

#68 - Feat/fps redux

Pull Request - State: closed - Opened by ceriottm almost 6 years ago - 2 comments

#68 - Feat/fps redux

Pull Request - State: closed - Opened by ceriottm almost 6 years ago - 2 comments

#67 - quick fix for using import rascal in build folder

Pull Request - State: closed - Opened by mastricker almost 6 years ago

#67 - quick fix for using import rascal in build folder

Pull Request - State: closed - Opened by mastricker almost 6 years ago

#66 - Error importing from librascal.so

Issue - State: closed - Opened by SebGay almost 6 years ago - 4 comments

#66 - Error importing from librascal.so

Issue - State: closed - Opened by SebGay almost 6 years ago - 4 comments

#65 - Make JSON schemas to provide a json serialization of StructureManagers and Calculators

Issue - State: closed - Opened by max-veit almost 6 years ago - 1 comment
Labels: enhancement

#64 - Update header guards

Issue - State: closed - Opened by max-veit almost 6 years ago

#63 - Update HowTwo documentation

Issue - State: closed - Opened by max-veit almost 6 years ago - 1 comment

#63 - Update HowTwo documentation

Issue - State: closed - Opened by max-veit almost 6 years ago - 1 comment

#62 - Feat/test ci

Pull Request - State: closed - Opened by gibertif almost 6 years ago - 2 comments

#62 - Feat/test ci

Pull Request - State: closed - Opened by gibertif almost 6 years ago - 2 comments

#61 - Add test for adaptor stacking á la example `structure_manager_iteration.cc`

Issue - State: closed - Opened by mastricker almost 6 years ago

#60 - Feat/better tests

Pull Request - State: closed - Opened by mastricker almost 6 years ago - 13 comments

#60 - Feat/better tests

Pull Request - State: closed - Opened by mastricker almost 6 years ago - 13 comments

#59 - Add the possibility to change how the IncreaseMaxOrder is done

Issue - State: closed - Opened by felixmusil almost 6 years ago - 1 comment
Labels: enhancement

#58 - CircleCI: compiler versions

Issue - State: closed - Opened by mastricker almost 6 years ago - 1 comment
Labels: maintenance

#57 - Get the TODO list out of the github site into the projects tasks

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: maintenance

#57 - Get the TODO list out of the github site into the projects tasks

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: maintenance

#56 - make targets

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: maintenance

#56 - make targets

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: maintenance

#55 - Python files licenses missing

Issue - State: open - Opened by mastricker almost 6 years ago
Labels: maintenance

#55 - Python files licenses missing

Issue - State: open - Opened by mastricker almost 6 years ago
Labels: maintenance

#54 - Hyperparameters json structs

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: duplicate, enhancement

#54 - Hyperparameters json structs

Issue - State: closed - Opened by mastricker almost 6 years ago
Labels: duplicate, enhancement

#53 - Feat/test ci

Pull Request - State: closed - Opened by gibertif almost 6 years ago - 6 comments

#53 - Feat/test ci

Pull Request - State: closed - Opened by gibertif almost 6 years ago - 6 comments

#52 - added automatic linting to bindings, linted bindings

Pull Request - State: closed - Opened by tjunge almost 6 years ago - 1 comment

#52 - added automatic linting to bindings, linted bindings

Pull Request - State: closed - Opened by tjunge almost 6 years ago - 1 comment

#51 - Bindings

Issue - State: closed - Opened by mastricker almost 6 years ago

#51 - Bindings

Issue - State: closed - Opened by mastricker almost 6 years ago

#50 - Enforcing C++ header uniformity (with script)

Pull Request - State: closed - Opened by max-veit almost 6 years ago

#49 - Feat/mrclean

Pull Request - State: closed - Opened by felixmusil almost 6 years ago - 4 comments

#49 - Feat/mrclean

Pull Request - State: closed - Opened by felixmusil almost 6 years ago - 4 comments

#48 - Major cleanup changes

Issue - State: closed - Opened by felixmusil almost 6 years ago - 1 comment
Labels: maintenance

#48 - Major cleanup changes

Issue - State: closed - Opened by felixmusil almost 6 years ago - 1 comment
Labels: maintenance

#47 - Feat/adaptor filter species

Pull Request - State: closed - Opened by tjunge almost 6 years ago - 16 comments

#46 - Update license boilerplate comment

Issue - State: closed - Opened by max-veit almost 6 years ago - 2 comments

#45 - Feat/representation manager

Pull Request - State: closed - Opened by felixmusil about 6 years ago - 30 comments

#45 - Feat/representation manager

Pull Request - State: closed - Opened by felixmusil about 6 years ago - 30 comments

#44 - structure manager factory

Issue - State: closed - Opened by felixmusil about 6 years ago - 4 comments
Labels: enhancement

#44 - structure manager factory

Issue - State: closed - Opened by felixmusil about 6 years ago - 4 comments
Labels: enhancement

#43 - Feat/test ci

Pull Request - State: closed - Opened by gibertif about 6 years ago

#42 - Make a How to about profiling gidelines

Issue - State: closed - Opened by felixmusil about 6 years ago
Labels: maintenance

#42 - Make a How to about profiling gidelines

Issue - State: closed - Opened by felixmusil about 6 years ago
Labels: maintenance

#41 - CI integration

Issue - State: closed - Opened by felixmusil about 6 years ago - 1 comment
Labels: maintenance

GitHub / lab-cosmo/librascal issues and pull requests