Go back to main page
View full archive
| Commit | Status | Summary | Author | Commit Message |
|---|---|---|---|---|
| cf50b84 / 18423 (0) | Iain Bethune | Update reference values to account for previous fix | ||
| c210a60 / 18422 (-1) | Iain Bethune | Bugfix (Vittorio Zecca, #53) | ||
| 03c83de / 18421 (-2) | Samuel Andermatt | make handling of steps/max_steps consistent between rtp and MD | ||
| d42503a / 18420 (-3) | Juerg Hutter | Atom pseudopotential fit output: additional info | ||
| c083550 / 18419 (-4) | Sergey Chulkov | NEGF: contact-specific temperature, correct shift and scale factors | ||
| 611f152 / 18418 (-5) | OK | correct: 2939 / 2939; 17min | Juerg Hutter | Add scaling parameter to input for pseudopotential optimization |
| f46a915 / 18417 (-6) | OK | correct: 2939 / 2939; 17min | Vladimir Rybkin | embedding restart from cubes |
| 169a6b5 / 18416 (-7) | Matthias Krack | Update PSI regression tester | ||
| a43eb9f / 18415 (-8) | OK | correct: 2938 / 2938; 17min | Ole Schuett | Input Description Change (Fabian Belleflamme) |
| 4cf2a02 / 18414 (-9) | Ole Schuett | Input Description Change (Christoph Gorgulla) | ||
| f9e2c6b / 18413 (-10) | Ole Schuett | Input Description Change (Leopold Talirz) | ||
| edaea69 / 18412 (-11) | OK | correct: 2938 / 2938; 16min | Harald Forbert | bug fixes in helium init to avoid undefined behaviour [Felix Uhl] |
| 66ed4fb / 18411 (-12) | Alfio Lazzaro | increase tol | ||
| 032abe5 / 18410 (-13) | Harald Forbert | Useful initialization for helium droplet simulations, as well as refinement on metropolis acceptance for out of droplet steps [Felix Uhl] | ||
| 3dbce3f / 18409 (-14) | FAILED | correct: 2937 / 2938; wrong: 1; 16min | Ole Schuett | Docker: Add separate build_test.sh |
| 06cdcfa / 18408 (-15) | Ole Schuett | Dashboard: Fix valgrind test name | ||
| c8d5565 / 18407 (-16) | Ole Schuett | Dashboard: ready generate_regtest_survey.py for git | ||
| 2473e4e / 18406 (-17) | FAILED | correct: 2937 / 2938; wrong: 1; 16min | Ole Schuett | Docker: Add even more valgrind tests |
| a7e72d1 / 18405 (-18) | Ole Schuett | Docker: Add valgrind tests | ||
| 296eaf4 / 18404 (-19) | Ole Schuett | Dashboard: Add reports cache, fix parsing of multiple status lines | ||
| c287d56 / 18403 (-20) | Ole Schuett | docker: Add various tests | ||
| c0a8fff / 18402 (-21) | FAILED | correct: 2937 / 2938; wrong: 1; 25min | Matthias Krack | Add math functions Erf and Erfc to fparser |
| 421e381 / 18401 (-22) | FAILED | correct: 2937 / 2938; wrong: 1; 16min | Ole Schuett | i-Pi: Fix memory leak |
| 3e5098d / 18400 (-23) | Ole Schuett | docker: fix relative path | ||
| 07c339a / 18399 (-24) | FAILED | correct: 2937 / 2938; wrong: 1; 16min | Ole Schuett | Dashboard: Add simple test for i-Pi (checks only exist codes) |
| db233a5 / 18398 (-25) | Ole Schuett | Move infra to tools/docker | ||
| 7bbe8c6 / 18397 (-26) | Ole Schuett | infra: Optimize for docker build cache | ||
| 774ecd7 / 18396 (-27) | Juerg Hutter | Remove unused parameter | ||
| 9880f4e / 18395 (-28) | Juerg Hutter | New objective function for pseudopotential optimization, reset regtests | ||
| cbdecb8 / 18394 (-29) | OK | correct: 2938 / 2938; 17min | H. Bani-Hashemian | csr matrices in terms of pao basis. |
| b8e139c / 18393 (-30) | OK | correct: 2938 / 2938; 16min | Vladimir Rybkin | RESP charges with MP2 |
| 6ec9c3f / 18392 (-31) | Ole Schuett | Update Iain's email | ||
| 88940f6 / 18391 (-32) | OK | correct: 2938 / 2938; 16min | Alfio Lazzaro | update ref for CCE tests |
| 3017536 / 18390 (-33) | Ole Schuett | Dashboard: One more notification fix | ||
| eba01ef / 18389 (-34) | Ole Schuett | Dashboard: Fix notifications | ||
| 49ef875 / 18388 (-35) | Ole Schuett | Dashboard: Ensure reports have any commit info | ||
| d1189ee / 18387 (-36) | Ole Schuett | Dashboard: Tidy up formatting | ||
| 02931fb / 18386 (-37) | Ole Schuett | Dashboard: Fix parsing of git sha | ||
| b06c8cb / 18385 (-38) | Ole Schuett | infra: speedup test by precomputing during docker build | ||
| 5ebf8ac / 18384 (-39) | OK | correct: 2938 / 2938; 16min | Nico Holmberg | Input: Fix generation of HTML |
| 63b47de / 18383 (-40) | OK | correct: 2938 / 2938; 16min | Ole Schuett | Dashboard: Fix decoding issues |
| feacb01 / 18382 (-41) | Ole Schuett | Dashboard: Add git support | ||
| d62ec62 / 18381 (-42) | OK | correct: 2938 / 2938; 16min | Matthias Krack | Add new keyword for occupation control with DFT+U |
| 34da686 / 18380 (-43) | OK | correct: 2938 / 2938; 16min | Alfio Lazzaro | Remove old description of dbcsr_testing.py |
| 1b9f704 / 18379 (-44) | Alfio Lazzaro | Fix Makefile problem for .f90 files | ||
| cbf6ea7 / 18378 (-45) | Vladimir Rybkin | update test in embedding | ||
| 728bdfa / 18377 (-46) | Vladimir Rybkin | fix embedding with valgrind | ||
| 2033fc8 / 18376 (-47) | OK | correct: 2938 / 2938; 16min | Vladimir Rybkin | one more test corrected |
| 40329a5 / 18375 (-48) | Vladimir Rybkin | correct embed tests | ||
| be352e3 / 18374 (-49) | Vladimir Rybkin | prettify | ||
| ad03f3c / 18373 (-50) | Vladimir Rybkin | conventions | ||
| b19446f / 18372 (-51) | Vladimir Rybkin | added more optimizers to embedding and reset the tests | ||
| af5737a / 18371 (-52) | OK | correct: 2936 / 2936; 16min | Ole Schuett | fix |
| 996d3ef / 18370 (-53) | Ole Schuett | fprettify: Python 2.7 compatibility | ||
| 1a80cd2 / 18369 (-54) | Ole Schuett | infra: add python tests | ||
| 10b7e5b / 18368 (-55) | OK | correct: 2936 / 2936; 16min | Ole Schuett | Remove weird whitespaces |
| 43d80bd / 18367 (-56) | OK | correct: 2936 / 2936; 16min | Matthias Krack | Add set of P100 CUDA kernels |
| e3fa826 / 18366 (-57) | Nico Holmberg | CDFT: Move settings of CDFT only optimizers to a new type. Fix behavior of scheme that handles when an existing Jacobian matrix is reused. Make Jacobian step size a vector. Fix MD simulation crash with multiple constraints. Add new tests for fixed features. | ||
| 4714fdf / 18365 (-58) | OK | correct: 2931 / 2931; 16min | Alfio Lazzaro | allow compilation Intel+CUDA, adding LDFLAGS_C for .cu files |
| faf021e / 18364 (-59) | OK | correct: 2931 / 2931; 16min | Alfio Lazzaro | protect tests from running with 3 ranks |
| 9bdd64c / 18363 (-60) | Iain Bethune | Resolve several issues identified by the NAG compiler (Fixes issue #52) | ||
| 8f1fe41 / 18362 (-61) | OK | correct: 2937 / 2937; 16min | Samuel Andermatt | energy windows: allow filtering |
| 7364ad8 / 18361 (-62) | OK | correct: 2937 / 2937; 16min | Alfio Lazzaro | DBCSR: fix bug when memory pool is used |
| 7f90cf4 / 18360 (-63) | H. Bani-Hashemian | write an adjacency (interaction) matrix. | ||
| 81bff78 / 18359 (-64) | Iain Bethune | Tolerance tweak | ||
| c09b9e0 / 18358 (-65) | H. Bani-Hashemian | fix keyword check. | ||
| 1e9ef10 / 18357 (-66) | H. Bani-Hashemian | csr binary write. | ||
| 28a0bfc / 18356 (-67) | Alfio Lazzaro | introduce a maxbuildtasks for compilation (default = maxtasks) | ||
| c3576a9 / 18355 (-68) | OK | correct: 2937 / 2937; 16min | Patrick Seewald | fixed (old) prettify bug, leading to mistakenly removed USE (commit r18352) |
| 98310e0 / 18354 (-69) | Tiziano Mueller | conventions: suppress warnings for GOTO in libcp2k | ||
| 0485b68 / 18353 (-70) | Tiziano Mueller | libcp2k: use a 'long int' for buffer sizes | ||
| f264228 / 18352 (-71) | Tiziano Mueller | libcp2k: add missing USE, mistakenly stripped by 'make pretty' | ||
| 9fd3c7f / 18351 (-72) | Matthias Krack | Apply maxtasks to compilation step | ||
| 1471a47 / 18350 (-73) | Tiziano Mueller | libcp2k: add Active Space functions | ||
| cfd71c2 / 18349 (-74) | Iain Bethune | IBM compiler should treat CP2K code as F2003 | ||
| 0e6f5c7 / 18348 (-75) | OK | correct: 2937 / 2937; 16min | Iain Bethune | Rename EPCC intel regtesters in the dashboard |
| eedfdb7 / 18347 (-76) | OK | correct: 2937 / 2937; 15min | Alfio Lazzaro | New update of the Linux-Intel for MPI |
| 3030209 / 18346 (-77) | Alfio Lazzaro | change arch files for Linux to use Intel compiler directly | ||
| 491bbbd / 18345 (-78) | Alfio Lazzaro | change arch files for Linux to use GCC compiler directly | ||
| ee92d3c / 18344 (-79) | Tiziano Mueller | qs_a_s_types: fix order of doxygen note | ||
| aa827a2 / 18343 (-80) | Tiziano Mueller | qs_a_s_methods/types: fix MPI hang and invalid access | ||
| b8726f7 / 18342 (-81) | Tiziano Mueller | qs_a_s_methods/types: fix forgotten doxification | ||
| 9a920e1 / 18341 (-82) | OK | correct: 2937 / 2937; 16min | Ole Schuett | Update email in addressbook.dat |
| 375dd11 / 18340 (-83) | Ole Schuett | Remove empty line from addressbook.dat | ||
| 6d7d12e / 18339 (-84) | Ole Schuett | Add Tiziano to addressbook.dat | ||
| 4e2a84f / 18338 (-85) | Tiziano Mueller | qs_a_s_methods: use nested-index functions from qs_a_s_types instead | ||
| 84138d1 / 18337 (-86) | Tiziano Mueller | qs_active_space: factor out "ERI foreach" | ||
| c183759 / 18336 (-87) | Patrick Seewald | Updating fypp to version 2.1.1 | ||
| dc5342d / 18335 (-88) | Patrick Seewald | forgot to remove old file of prettify | ||
| 1d1c39a / 18334 (-89) | Patrick Seewald | Include fprettify v0.3.2 into CP2K. | ||
| dde9c68 / 18333 (-90) | Alfio Lazzaro | Activate pretty for .f90 files | ||
| eed1e13 / 18332 (-91) | Samuel Andermatt | fix integer overflow for large, very sparse matrices on few ranks | ||
| 21dd556 / 18331 (-92) | OK | correct: 2937 / 2937; 16min | Alfio Lazzaro | DBCSR: rename hash table files |
| cc0a542 / 18330 (-93) | Tiziano Mueller | BASIS_pob-TZVP: fix misplaced 0 | ||
| 930b744 / 18329 (-94) | Alfio Lazzaro | DOXIFY included files | ||
| 266f600 / 18328 (-95) | Patrick Seewald | fix prettify bug | ||
| d9026ab / 18327 (-96) | Tiziano Mueller | libcp2k: document which kind of MPI comm is needed | ||
| 114ba9e / 18326 (-97) | OK | correct: 2937 / 2937; 16min | Tiziano Mueller | BASIS_MOLOPT_UCL: add aliases with valence-electron count |
| 2523d58 / 18325 (-98) | Alfio Lazzaro | add Intel regtest on Swan | ||
| d37d6a1 / 18324 (-99) | Tiziano Mueller | kpoint_methods: be more specific in abort messages |
View full archive
Page last updated: 2018-05-14T13:20:27