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