v1.3.0

What's Changed

• Fix BLAS_VENDOR in CI by @nicolasbock in #214
• Convert to readthedocs by @nicolasbock in #215
• New kernel for XL-BOMD and fix bug in response_orig by @ares201005 in #216
• Add scripts and modify CMakelists.txt to build on spock and crusher by @mewall in #218
• Add pre-command to test suite runs by @jeanlucf22 in #220
• Fix bug in fermi function: Floating-point exception in debug mode by @ares201005 in #222
• Add graphsolver for density matrix by @ares201005 in #223
• Add prg_graphsolver_mod into the CMakelist; fix the indent in prg_graphsolver_mod by @ares201005 in #225
• Added zmat construction via graph solver and other routines by @cnegre in #226
• Added BLAS_VENDOR by @cnegre in #228
• Append BML libraries twice to link line by @jeanlucf22 in #219
• sp2tc by @finkeljos in #230
• Actualizing benchmark bio pr by @cnegre in #231
• Add the update of chemical potential for graphsolver by @ares201005 in #232
• Added scripts for building by @cnegre in #233
• Bes kernel by @cnegre in #234
• fixed bugs by @cnegre in #235
• Modifications to enable offload build on crusher by @mewall in #236
• Removed unused BML_OMP variable by @cnegre in #238
• Fixed pdb files from example by @cnegre in #239
• Add dmconstruction executable to install by @jeanlucf22 in #241
• Debug magma on crusher by @mewall in #244
• Update CI image to 20.04 by @nicolasbock in #245
• Upgrade docker login action by @nicolasbock in #246
• Switch latest Docker image to Focal by @nicolasbock in #247
• Add badge for Docker image by @nicolasbock in #248
• Repeat calls in dmconstruction to ensure reliable timings by @jeanlucf22 in #249
• Print progress and bml version numbers by @ares201005 in #251
• Add option of repeating loops in dmconstruction by @jeanlucf22 in #253
• Clean up build with BML prefix by @jeanlucf22 in #252
• Update graphsolver benchmark by @ares201005 in #255
• Remove STRINGIFY_END marco which is not compatible with the cray comp… by @ares201005 in #257
• Minor Cray compiler bug fixes by @mewall in #258
• Fix memory leak in prg_twolevel_model symmetrization by @mewall in #261
• Tut by @cnegre in #263
• C interface for progress functions by @ares201005 in #262
• Fix formatting of references by @nicolasbock in #264
• Edits to enable GPU builds of gpmd by @mewall in #265
• Edits to support lanl31 params by @mewall in #266
• Remove support for ellsort format by @jeanlucf22 in #268
• modelham construction prints out matrix only when verbode>0 by @jeanlucf22 in #269
• Simplify cmake in tutorial by @jeanlucf22 in #270
• Clean up SP2 and benchmark by @jeanlucf22 in #271
• Reduce auxilliary matrices in diagonalization by @jeanlucf22 in #273
• Do not redefine release/debug compile flags by @jeanlucf22 in #274
• Fix abs function by @jeanlucf22 in #275

New Contributors

• @mewall made their first contribution in #218
• @finkeljos made their first contribution in #230

Full Changelog: v1.2.0...v1.3.0

Release v1.2.0

What's Changed

• Fix incorrect link to bml by @nicolasbock in #111
• Added routine to get F level via NR method by @cnegre in #112
• Changed allocations for DM build by @cnegre in #114
• Update issue templates by @nicolasbock in #115
• Added atom name and resindex to pdb file by @cnegre in #118
• Added eigenvalues output at DM construction by @cnegre in #119
• Add coding style spec by @nicolasbock in #117
• Getdihedral example by @cnegre in #96
• Eigenvalues by @cnegre in #120
• Some fixes by @nicolasbock in #122
• Add install test to Travis-CI by @nicolasbock in #121
• Remove unnecessary BLAS_VENDOR flag by @nicolasbock in #124
• Fixes by @cnegre in #125
• Fixes by @cnegre in #126
• Changes in license by @cnegre in #127
• Changes for ibm xlf compiler compatibility by @cnegre in #128
• Bug fix - occ value changes by @cnegre in #129
• Update prg_pulaycomponent_mod.F90 by @nfaguirrec in #130
• Fix test by @cnegre in #132
• Travis by @cnegre in #133
• Add support for BML ellblock format by @jeanlucf22 in #131
• Updated readme by @cnegre in #134
• Test bml from upstream by @nicolasbock in #123
• Remove waffle.io references by @nicolasbock in #137
• Update indent script by @nicolasbock in #138
• Fix indent by @nicolasbock in #139
• Implicit Fermi updated + trace_mult function change by @linneamk in #136
• Implicit fermi la by @linneamk in #140
• Cleanup by @cnegre in #141
• Changed sp2run in examples by @cnegre in #143
• Fixed write by @tokshgithub in #144
• add density full data from the summit branch by @ares201005 in #145
• Addig a model Hamiltonian build by @cnegre in #146
• Adding input files for model Ham by @cnegre in #147
• Added symmetrization to H by @cnegre in #148
• Modelh by @cnegre in #149
• Adding reshuffle in rows by @cnegre in #150
• cmake: use bml exported target by @junghans in #151
• cmake: only install exported target for BML::bml by @junghans in #152
• CMake: allow super-build by @junghans in #153
• cmake: add DONT_TOUCH_MY_FLAGS option by @junghans in #156
• Added missing CSR type by @cnegre in #154
• cmake: use new target_link_libraries() everywhere by @junghans in #159
• Updated manual by @cnegre in #161
• Added formats to model ham by @cnegre in #160
• Thresh right after ham construction added by @cnegre in #162
• Added seed by @cnegre in #165
• Add build script for Summit at OLCF by @jeanlucf22 in #167
• Add basic GitHub Actions workflow by @nicolasbock in #173
• Add container action by @nicolasbock in #174
• Explicitly set the compilers to use in the CI container by @nicolasbock in #175
• Periodically build the container image by @nicolasbock in #176
• Updated README by @nicolasbock in #177
• Install bml in standard location by @nicolasbock in #178
• Simplify variable settings in script by @nicolasbock in #179
• Ignore failed docker pull by @nicolasbock in #180
• Update documentation on using docker by @nicolasbock in #182
• Make sure we don't miss an error in CI by @nicolasbock in #183
• Build the bml library with the same build type by @nicolasbock in #185
• Upgrade CI compiler to gcc-11 by @nicolasbock in #184
• Fix logic around EXTRA_FCFLAGS by @nicolasbock in #186
• Only build container in main repository by @nicolasbock in #187
• Added cannon_response by @cnegre in #188
• Store separate artifacts for jobs by name by @nicolasbock in #189
• removing redundant file by @enriquemasa in #190
• Add maintainer to Dockerfile by @nicolasbock in #191
• Failsafe by @cnegre in #192
• Fix indent script by @nicolasbock in #193
• Add experimental CI container to workflow by @nicolasbock in #196
• Move CI scripts to scripts directory by @nicolasbock in #195
• Fix location of container prepare script by @nicolasbock in #197
• Mgenz by @cnegre in #198
• Add repository_dispatch event by @nicolasbock in #199
• Print bml version for easier debugging by @nicolasbock in #200
• Do not fail fast in CI by @nicolasbock in #202
• Update status badges by @nicolasbock in #203
• Move tests to scripts by @nicolasbock in #201
• Added benchmarks by @cnegre in #204
• Added benchmark for graphBased method by @cnegre in #205
• Add option to build benchmarks in build script by @jeanlucf22 in #207
• Fix linter issue by @nicolasbock in #208
• Adapt to use bml distributed2d matrices by @jeanlucf22 in #209
• Sparse kernel for XLBO-MD by @linneamk in #210
• Update deprecated MAINTAINER instruction by @nicolasbock in #211
• Compiler by @nicolasbock in #213

New Contributors

• @nfaguirrec made their first contribution in #130
• @jeanlucf22 made their first contribution in #131
• @linneamk made their first contribution in #136
• @tokshgithub made their first contribution in #144
• @ares201005 made their first contribution in #145
• @junghans made their first contribution in #151
• @enriquemasa made their first contribution in #190

Full Changelog: v1.1.0...v1.2.0

Release v1.1.0

Some major improvements and feature additions. Everyone is encouraged to upgrade.

First release

Merge pull request #68 from lanl/fermirec

Changed the type to match the input matrix when calling diagonalization.