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