Fork| Rev. | Hora | Autor |
|---|---|---|
| 87a22a5 svn/fx10 | 2013-12-25 17:33:00 | Mikiya Fujii |
|
Makefile_FX10 is modified in same way with Makefile and Makefile_GNU. #32655 #32094 |
||
| cf93f28 | 2013-12-25 17:09:04 | Mikiya Fujii |
|
trunk.r1598 is merged to fx10. This merge is related to #32650, #32655, and #32676. #32094 |
||
| 08dfec8 | 2013-12-25 17:05:47 | Mikiya Fujii |
|
branch/0.3.x.r1593 is 'manually' merged to trunk 'again'. This merge is related to #32650 and #32655. #32676 |
||
| 73cd708 | 2013-12-25 17:03:52 | Mikiya Fujii |
|
revert to r1593 |
||
| 9cabb6a | 2013-12-25 17:02:00 | Mikiya Fujii |
|
branch/0.3.x.r1593 is 'manually' merged to trunk. This merge is related to #32650 and #32655. #32676 |
||
| c6920cf | 2013-12-25 16:53:31 | Mikiya Fujii |
|
revert to r1593 |
||
| 6eea8c3 | 2013-12-25 16:51:32 | Mikiya Fujii |
|
branch/0.3.x.r1593 is merged to trunk. This merge is related to #32650 and #32655. #32676 |
||
| 5d63e28 | 2013-12-21 19:15:48 | Katsuhiko Nishimra |
|
Exclude output binary from repository. |
||
| 162da82 | 2013-12-21 19:14:35 | Katsuhiko Nishimra |
|
Exclude output binary from repository. |
||
| ca19512 | 2013-12-20 19:20:37 | Mikiya Fujii |
|
Revert to development mode to start version 0.4.0 |
||
| 4ebd58c | 2013-12-20 18:57:42 | Mikiya Fujii |
|
preparing tag 0.3.0. #32641 |
||
| 5612f74 | 2013-12-20 18:01:35 | Mikiya Fujii |
|
Test of ZINDO/S for thiophene is added to Test_Of_MolDS.rb #32319 |
||
| 2a70954 | 2013-12-20 17:33:10 | Mikiya Fujii |
|
Makefiles are rearranged. #32642 |
||
| 4de5780 | 2013-12-20 17:10:44 | Mikiya Fujii |
|
release_notes is added. #32640 |
||
| 128786a | 2013-12-19 20:06:01 | Mikiya Fujii |
|
Sulfer parameter set in ZINDO/S is changed to be identical with ORCA2.8's set #32319 |
||
| cd3e16a | 2013-12-19 11:29:48 | Katsuhiko Nishimra |
|
Catch unexpected exception by reference. |
||
| 901f38d | 2013-12-19 11:29:46 | Katsuhiko Nishimra |
|
Remove debug codes. #31716 |
||
| 5226ceb | 2013-12-19 11:21:10 | Mikiya Fujii |
|
trunk.r1577 is merged to fx10. This merge is related to #32299, #31850, #32309, #32319, #32235, #32380, #32381, and #32469. #32094 |
||
| b3831ae | 2013-12-19 10:16:38 | Mikiya Fujii |
|
pow in constants is refactored. #31850 |
||
| e0abb30 | 2013-12-10 03:04:21 | Mikiya Fujii |
|
README.txt is updated. |
||
| 7803868 | 2013-12-10 02:57:55 | Mikiya Fujii |
|
Typo |
||
| 6419423 | 2013-12-10 02:43:56 | Mikiya Fujii |
|
Link to an example for building openblas is added. |
||
| 9c67518 | 2013-12-10 02:14:11 | Mikiya Fujii |
|
Makefiel_GNU is modified for EPC. #32469 |
||
| 1843479 | 2013-12-04 11:54:29 | Mikiya Fujii |
|
Coulomb interaction between cores and EPCs is implemented. #32469 |
||
| e87d803 | 2013-11-30 17:30:37 | Mikiya Fujii |
|
The coulomb interaction between cores of qm-atoms is refactored to use cache. #32469 |
||
| 2613b7e | 2013-11-30 16:35:23 | Mikiya Fujii |
|
Two electron integral between qm-atom ane epc is implemented. The coulomb interaction between Cores of qm-atom and epc is not implemented yet. Derivatives are alos not implemented yet. #32469 |
||
| 2a09f96 | 2013-11-29 16:51:34 | Mikiya Fujii |
|
EnvironmentalPointCharge-class(EPC) is added. In molecule-class distance matrix for EPC is added. InputParser-class is modified for EPCs. Some methods for two electrons integral is refactored such as rename. README is updated. #32469 |
||
| b6a8835 | 2013-11-22 12:13:31 | Mikiya Fujii |
|
README is updated. |
||
| 61d7e05 | 2013-11-15 19:26:33 | Mikiya Fujii |
|
typo |
||
| 586412a | 2013-11-01 19:44:22 | Mikiya Fujii |
|
bug in wrappers/Lapack.cpp related to mkl is fixed. Indeed mkl can not be used on FX10. #32094 |
||