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CommitStatusSummaryAuthorCommit Message
88940f6 / 18391 (0)Alfio Lazzaroupdate ref for CCE tests
3017536 / 18390 (-1)OKDBCSR tarball works.Ole SchuettDashboard: One more notification fix
eba01ef / 18389 (-2)Ole SchuettDashboard: Fix notifications
49ef875 / 18388 (-3)Ole SchuettDashboard: Ensure reports have any commit info
d1189ee / 18387 (-4)Ole SchuettDashboard: Tidy up formatting
02931fb / 18386 (-5)Ole SchuettDashboard: Fix parsing of git sha
b06c8cb / 18385 (-6)Ole Schuettinfra: speedup test by precomputing during docker build
5ebf8ac / 18384 (-7)Nico HolmbergInput: Fix generation of HTML
63b47de / 18383 (-8)Ole SchuettDashboard: Fix decoding issues
feacb01 / 18382 (-9)Ole SchuettDashboard: Add git support
d62ec62 / 18381 (-10)OKDBCSR tarball works.Matthias KrackAdd new keyword for occupation control with DFT+U
34da686 / 18380 (-11)OKDBCSR tarball works.Alfio LazzaroRemove old description of dbcsr_testing.py
1b9f704 / 18379 (-12)Alfio LazzaroFix Makefile problem for .f90 files
cbf6ea7 / 18378 (-13)Vladimir Rybkinupdate test in embedding
728bdfa / 18377 (-14)Vladimir Rybkinfix embedding with valgrind
2033fc8 / 18376 (-15)OKDBCSR tarball works.Vladimir Rybkinone more test corrected
40329a5 / 18375 (-16)Vladimir Rybkincorrect embed tests
be352e3 / 18374 (-17)Vladimir Rybkinprettify
ad03f3c / 18373 (-18)Vladimir Rybkinconventions
b19446f / 18372 (-19)Vladimir Rybkinadded more optimizers to embedding and reset the tests
af5737a / 18371 (-20)OKDBCSR tarball works.Ole Schuettfix
996d3ef / 18370 (-21)Ole Schuettfprettify: Python 2.7 compatibility
1a80cd2 / 18369 (-22)Ole Schuettinfra: add python tests
10b7e5b / 18368 (-23)Ole SchuettRemove weird whitespaces
43d80bd / 18367 (-24)OKDBCSR tarball works.Matthias KrackAdd set of P100 CUDA kernels
e3fa826 / 18366 (-25)Nico HolmbergCDFT: 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 (-26)OKDBCSR tarball works.Alfio Lazzaroallow compilation Intel+CUDA, adding LDFLAGS_C for .cu files
faf021e / 18364 (-27)OKDBCSR tarball works.Alfio Lazzaroprotect tests from running with 3 ranks
9bdd64c / 18363 (-28)Iain BethuneResolve several issues identified by the NAG compiler (Fixes issue #52)
8f1fe41 / 18362 (-29)OKDBCSR tarball works.Samuel Andermattenergy windows: allow filtering
7364ad8 / 18361 (-30)OKDBCSR tarball works.Alfio LazzaroDBCSR: fix bug when memory pool is used
7f90cf4 / 18360 (-31)H. Bani-Hashemianwrite an adjacency (interaction) matrix.
81bff78 / 18359 (-32)Iain BethuneTolerance tweak
c09b9e0 / 18358 (-33)H. Bani-Hashemianfix keyword check.
1e9ef10 / 18357 (-34)H. Bani-Hashemiancsr binary write.
28a0bfc / 18356 (-35)OKDBCSR tarball works.Alfio Lazzarointroduce a maxbuildtasks for compilation (default = maxtasks)
c3576a9 / 18355 (-36)OKDBCSR tarball works.Patrick Seewaldfixed (old) prettify bug, leading to mistakenly removed USE (commit r18352)
98310e0 / 18354 (-37)Tiziano Muellerconventions: suppress warnings for GOTO in libcp2k
0485b68 / 18353 (-38)Tiziano Muellerlibcp2k: use a 'long int' for buffer sizes
f264228 / 18352 (-39)Tiziano Muellerlibcp2k: add missing USE, mistakenly stripped by 'make pretty'
9fd3c7f / 18351 (-40)Matthias KrackApply maxtasks to compilation step
1471a47 / 18350 (-41)Tiziano Muellerlibcp2k: add Active Space functions
cfd71c2 / 18349 (-42)Iain BethuneIBM compiler should treat CP2K code as F2003
0e6f5c7 / 18348 (-43)OKDBCSR tarball works.Iain BethuneRename EPCC intel regtesters in the dashboard
eedfdb7 / 18347 (-44)OKDBCSR tarball works.Alfio LazzaroNew update of the Linux-Intel for MPI
3030209 / 18346 (-45)Alfio Lazzarochange arch files for Linux to use Intel compiler directly
491bbbd / 18345 (-46)Alfio Lazzarochange arch files for Linux to use GCC compiler directly
ee92d3c / 18344 (-47)Tiziano Muellerqs_a_s_types: fix order of doxygen note
aa827a2 / 18343 (-48)Tiziano Muellerqs_a_s_methods/types: fix MPI hang and invalid access
b8726f7 / 18342 (-49)Tiziano Muellerqs_a_s_methods/types: fix forgotten doxification
9a920e1 / 18341 (-50)OKDBCSR tarball works.Ole SchuettUpdate email in addressbook.dat
375dd11 / 18340 (-51)Ole SchuettRemove empty line from addressbook.dat
6d7d12e / 18339 (-52)Ole SchuettAdd Tiziano to addressbook.dat
4e2a84f / 18338 (-53)Tiziano Muellerqs_a_s_methods: use nested-index functions from qs_a_s_types instead
84138d1 / 18337 (-54)Tiziano Muellerqs_active_space: factor out "ERI foreach"
c183759 / 18336 (-55)Patrick SeewaldUpdating fypp to version 2.1.1
dc5342d / 18335 (-56)Patrick Seewaldforgot to remove old file of prettify
1d1c39a / 18334 (-57)Patrick SeewaldInclude fprettify v0.3.2 into CP2K.
dde9c68 / 18333 (-58)Alfio LazzaroActivate pretty for .f90 files
eed1e13 / 18332 (-59)Samuel Andermattfix integer overflow for large, very sparse matrices on few ranks
21dd556 / 18331 (-60)OKDBCSR tarball works.Alfio LazzaroDBCSR: rename hash table files
cc0a542 / 18330 (-61)Tiziano MuellerBASIS_pob-TZVP: fix misplaced 0
930b744 / 18329 (-62)Alfio LazzaroDOXIFY included files
266f600 / 18328 (-63)Patrick Seewaldfix prettify bug
d9026ab / 18327 (-64)Tiziano Muellerlibcp2k: document which kind of MPI comm is needed
114ba9e / 18326 (-65)OKDBCSR tarball works.Tiziano MuellerBASIS_MOLOPT_UCL: add aliases with valence-electron count
2523d58 / 18325 (-66)Alfio Lazzaroadd Intel regtest on Swan
d37d6a1 / 18324 (-67)Tiziano Muellerkpoint_methods: be more specific in abort messages
48587a3 / 18323 (-68)Tiziano Muellerlibcp2k: target string does not have to be larger than n+1
3b4d6d4 / 18322 (-69)Tiziano Muellerlibcp2k.h: fix function definition for get_result
b9c83cf / 18321 (-70)Alfio LazzaroFix clear0 for densification on GPU
467362c / 18320 (-71)Alfio Lazzaromore arch files cleanup
a614abc / 18319 (-72)OKDBCSR tarball works.Alfio LazzaroUpdate Intel arch files popt and psmp
5ff0150 / 18318 (-73)OKDBCSR tarball works.Alfio LazzaroUpdate Intel arch files
0804320 / 18317 (-74)Alfio Lazzaroremove some old arch files for Cray systems
0d5967e / 18316 (-75)OKDBCSR tarball works.Juerg Hutterdoxify: use \return for return values (Tiziano Mueller)
e04a8f9 / 18315 (-76)OKDBCSR tarball works.Alfio LazzaroAdd new arch file for CCE
3ec6223 / 18314 (-77)Alfio LazzaroUpdate arch file for CCE
0c16620 / 18313 (-78)Alfio LazzaroUpdate arch files for CCE
03757a4 / 18312 (-79)Alfio LazzaroFix typo in the CCE report directory name
03cfef4 / 18311 (-80)Alfio LazzaroAdd CCE regtest to dashboard
f9222f9 / 18310 (-81)Alfio LazzaroUpdate target toolsversion toolversions for CCE and XLF compilers
27b9995 / 18309 (-82)Alfio LazzaroUse all available cores for compilation; introducing -svnrev flag
5e020df / 18308 (-83)Juerg HutterAdd some comments
545aec8 / 18307 (-84)Ole Schuettcp2k_shell: Increase version to indicate changed libxc input
9fca470 / 18306 (-85)Ole Schuettlibxc: Allow only one functional per input section
c5f88a6 / 18305 (-86)Ole SchuettAdd missing TEST_FILES_RESET files
6046911 / 18304 (-87)OKDBCSR tarball works.Juerg HutterReduce max derviatve of Ylm needed.
f8fc007 / 18303 (-88)Juerg HutterMake dummy routine dcy_lm standard compatible
142c17e / 18302 (-89)Juerg HutterUpdate derivatives of spherical harmonics: corrects GAPW meta functional error (1 regtest)
8718999 / 18301 (-90)Nico HolmbergCDFT: Move auxiliary routines to separate module
3994ddc / 18300 (-91)OKDBCSR tarball works.Sergey ChulkovInitial Maximum Overlap Method
88fe6ee / 18299 (-92)Alfio Lazzarofix warnings from CCE compiler
7f1bd35 / 18298 (-93)Nico HolmbergVibrational analysis: Fix molden file parser
a00c23c / 18297 (-94)Nico HolmbergVibrational analysis: Add Atoms section to molden output
e034b5a / 18296 (-95)OKDBCSR tarball works.Harald Forbertadjusting accuracy and default parameters [Fabien Brieuc]
1c73236 / 18295 (-96)OKDBCSR tarball works.Dorothea GolzeXAS: enable excitation for beta spin channel
c74589c / 18294 (-97)Juerg Hutterglobal_types: drop unused id_nr and the global last_globenv_id (Tiziano Mueller)
14d8b2e / 18293 (-98)Juerg Hutterscf_control_types: say which SCF_GUESS is not supported with OT (Tiziano Mueller)
5b02036 / 18292 (-99)Juerg HutterMake old_dir non-optional (Tiziano Mueller)

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Page last updated: 2018-04-22T19:41:11