fortnet - Release 0.7.4

Release Fortnet in version 0.7.4

Changelog:

• adds support for HDF5 1.14.x

- Fortran
Published by vanderhe over 1 year ago

fortnet - Release 0.7.3

Release Fortnet in version 0.7.3

Changelog:

• removes artificial restriction that prevents to calculate systems with a subset of BPNN elements

- Fortran
Published by vanderhe about 3 years ago

fortnet - Release 0.7.2

Release Fortnet in version 0.7.2

Changelog:

• superfluous dependencies of project removed

- Fortran
Published by vanderhe over 3 years ago

fortnet - Release 0.7.1

Release Fortnet in version 0.7.1

Changelog:

• support for building as shared library
• restructuring of build infrastructure for conda-forge packaging

- Fortran
Published by vanderhe over 3 years ago

fortnet - Release 0.7

Release Fortnet in version 0.7

Changelog:

• support for the i-PI socket communication protocol as external driver
• matmul intrinsic replaced by BLAS calls, where performance critical

- Fortran
Published by vanderhe almost 4 years ago

fortnet - Release 0.6

Release Fortnet in version 0.6

Changelog:

• support for simultaneous training on system-wide and atomic targets
• several bugfixes

- Fortran
Published by vanderhe about 4 years ago

fortnet - Release 0.5

Release Fortnet in version 0.5

Changelog:

• Fortformat moved to dedicated repository
• optional atom-resolved weighting of training gradients
• documentation for the ASE file-IO calculator
• analytical network output derivatives w.r.t. atomic coordinates (e.g. force analysis)
• several bugfixes

- Fortran
Published by vanderhe over 4 years ago

fortnet - Release 0.4.1

Release Fortnet in version 0.4.1

Changelog: - properly increase version number from 0.3 to 0.4

- Fortran
Published by vanderhe over 4 years ago

fortnet - Release 0.4

Release Fortnet in version 0.4

Changelog: - lasso, ridge and elastic net regularization - atomic force analysis based on finite differences - additional activation functions

- Fortran
Published by vanderhe over 4 years ago

fortnet - Release 0.3

Release Fortnet in version 0.3

Changelog:

• HDF5 based input and output
• condense program state into single file
• species-resolved ACSF scheme
• manual ACSF specification (+ G4 function support)
• optional random shuffling of gradient calculations
• remove support for target standardization
• several bugfixes

- Fortran
Published by vanderhe almost 5 years ago

fortnet - Release 0.2

Release Fortnet in version 0.2

Changelog:

• contiguous dataset file format
• external atomic input features
• FORD code documentation
• individual datapoint weighting
• MPI parallelized network evaluation
• loss function aware backpropagation
• several bugfixes

- Fortran
Published by vanderhe almost 5 years ago

fortnet - Release 0.1

First Release of Fortnet.

- Fortran
Published by vanderhe about 5 years ago