Fork| Rev. | Time | Author |
|---|---|---|
| ea3d53f bfgsscflog | 2013-01-25 15:25:48 | Katsuhiko Nishimra |
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tmp BFGS output SCF log |
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| bc83626 | 2013-01-25 03:42:43 | Katsuhiko Nishimra |
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Merge trunk into automake. #28588 #30566 |
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| 6938e00 dsyrkdensitymatrix trunk | 2013-01-24 23:59:18 | Katsuhiko Nishimra |
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Use dsyrk in CalcOrbitalElectronPopulation. #30560 |
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| 9d2d859 | 2013-01-24 23:51:28 | Katsuhiko Nishimra |
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Added the copyright notation. |
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| 9cfb156 | 2013-01-24 23:45:42 | Katsuhiko Nishimra |
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`make depend' generates the dependency file forcibly. #30218 |
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| 8f5e4b2 | 2013-01-24 23:11:56 | Katsuhiko Nishimra |
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Chdir to test directory at the firt of the test script. #30584 |
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| 1fc350a | 2013-01-24 22:45:17 | Katsuhiko Nishimra |
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Add the missing variable. #30562 |
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| ba31ce6 | 2013-01-24 22:41:40 | Katsuhiko Nishimra |
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Add the argument that indicates whether the matrix is row/column-major to Dsyrk. #30562 |
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| 12ec103 | 2013-01-24 20:53:11 | Katsuhiko Nishimra |
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Generate objfile.dep only once. #30218 |
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| 6bc79af | 2013-01-24 20:53:10 | Katsuhiko Nishimra |
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Use only cblas routines in BLAS wrapper. #30566 |
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| c264b8f | 2013-01-23 19:46:12 | Katsuhiko Nishimra |
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Implement the wrapper function for dsyrk. #30562 #30566 |
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| 9aa4947 | 2013-01-23 07:13:31 | Mikiya Fujii |
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Test suite is updated for #30554 |
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| d611b34 | 2013-01-23 07:12:45 | Mikiya Fujii |
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Output on/off of DIIS and diisError of Cndo2::DoDIIS for each SCF step. #30554 |
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| 03a53ba automake | 2013-01-22 05:19:07 | Katsuhiko Nishimra |
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Merge trunk into automake. #28588 |
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| 8c7c252 | 2013-01-22 05:19:05 | Katsuhiko Nishimra |
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Call boost::math::factorial in MolDS_base::Factorial if available. #30557 |
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| 23f9ca5 | 2013-01-22 05:19:03 | Katsuhiko Nishimra |
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Check for boost/math/special_functions/factorials.hpp. #30557 |
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| 424b484 | 2013-01-22 04:26:38 | Katsuhiko Nishimra |
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Fix typo. |
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| 3766d64 | 2013-01-22 04:26:37 | Katsuhiko Nishimra |
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Call boost::math::factorial in MolDS_base::Factorial. #30557 |
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| cd8563d | 2013-01-22 00:11:44 | okymmolds |
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Unpaired electron population at Mulliken type. #29958 |
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| c20dc49 | 2013-01-02 04:13:16 | Katsuhiko Nishimra |
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Revert "tmp" |
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| 7f03bc5 | 2013-01-02 04:04:14 | Katsuhiko Nishimra |
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tmp |
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| fe732bc | 2013-01-02 04:03:29 | Katsuhiko Nishimra |
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Generate files by autoreconf 2.69 with automake 1.11.6. #28588 |
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| 76ce1f5 | 2013-01-02 04:03:28 | Katsuhiko Nishimra |
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Fix a bug in testing -rpath flag for ld. #28588 |
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| e35edf2 | 2013-01-02 03:45:35 | Katsuhiko Nishimra |
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Generate files by autoreconf 2.69 with automake 1.11.6. #28588 |
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| fadbf6c | 2013-01-02 03:44:53 | Katsuhiko Nishimra |
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Remove duplicate OpenBLAS flags from Makefile.am. #28588 |
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| e7fe1e0 | 2013-01-02 03:44:50 | Katsuhiko Nishimra |
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Revert "Remove duplicate CPP/LDFLAGS addition. #28588" |
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| 8eed608 | 2013-01-02 02:41:53 | Katsuhiko Nishimra |
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Generate files by autoreconf 2.69 with automake 1.11.6. #28588 |
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| 5d187e0 | 2013-01-02 02:30:17 | Katsuhiko Nishimra |
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int -> molds_lapack_int |
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| 21fcaac | 2013-01-02 02:29:31 | Katsuhiko Nishimra |
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Use AM_CPP/LDFLAGS to pass boost cpp/ld flags. #28588 |
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| 871fea0 | 2013-01-02 02:29:29 | Katsuhiko Nishimra |
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Remove duplicate CPP/LDFLAGS addition. #28588 |
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