| /dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.4/water_mp2_rimp2/ |
| H A D | rimp2.out | 301 | MP2 unrelaxed natural orbital occupation numbers |
303 | natural orb. | occupation numbers |
311 Maximum change in occupation number:
317 | MP2 relaxed natural orbital occupation numbers |
319 | natural orb. | occupation numbers |
327 Maximum change in occupation number:
|
| /dports/science/quantum-espresso/q-e-qe-6.7.0/HP/examples/example10/reference/ |
| H A D | LiCoO2.hp.out | 569 occupation matrix before diagonalization:
583 occupation matrix before diagonalization:
595 occupation matrix before diagonalization:
1050 occupation matrix before diagonalization:
1064 occupation matrix before diagonalization:
1076 occupation matrix before diagonalization:
1534 occupation matrix before diagonalization:
1548 occupation matrix before diagonalization:
1560 occupation matrix before diagonalization:
2145 occupation matrix before diagonalization:
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mrpt/fci/doc/ |
| H A D | matrixelements.tex | 35 given orbital occupation and also having the ability to use either CSF
51 open-shell occupation. The graphical unitary group approach
94 \item the occupation of each spin orbital, and
365 open-shell occupation. This follows the approach of Duch
556 coming into node $(l,n)$ on an orbital occupation graph.}
567 $M$ orbitals, $z_l=0,1,2$) or occupation pattern, is simply
710 restores the correct ordering of the occupation is the cyclic
727 order of occupation should be
757 factor of 5 arises from the various occupation cases). Duch
1048 c Returns the number of orbital occupation walks in the FCI
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/mrpt/fci/doc/ |
| H A D | matrixelements.tex | 29 given orbital occupation and also having the ability to use either CSF
45 open-shell occupation. The graphical unitary group approach
88 \item the occupation of each spin orbital, and
357 open-shell occupation. This follows the approach of Duch
545 coming into node $(l,n)$ on an orbital occupation graph.}
556 $M$ orbitals, $z_l=0,1,2$) or occupation pattern, is simply
699 restores the correct ordering of the occupation is the cyclic
716 order of occupation should be
746 factor of 5 arises from the various occupation cases). Duch
1037 c Returns the number of orbital occupation walks in the FCI
[all …]
|
| /dports/science/madness/madness-ebb3fd7/src/apps/moldft/fci/doc/ |
| H A D | matrixelements.tex | 29 given orbital occupation and also having the ability to use either CSF
45 open-shell occupation. The graphical unitary group approach
88 \item the occupation of each spin orbital, and
357 open-shell occupation. This follows the approach of Duch
545 coming into node $(l,n)$ on an orbital occupation graph.}
556 $M$ orbitals, $z_l=0,1,2$) or occupation pattern, is simply
699 restores the correct ordering of the occupation is the cyclic
716 order of occupation should be
746 factor of 5 arises from the various occupation cases). Duch
1037 c Returns the number of orbital occupation walks in the FCI
[all …]
|
| /dports/databases/p5-HTML-FormHandler-Model-DBIC/HTML-FormHandler-Model-DBIC-0.29/t/ |
| H A D | related.t | 53 'occupation' => 'management',
72 occupation => "Programmer",
104 'occupation' => 'Programmer',
|
| /dports/www/phpgroupware/phpgroupware-0.9.16.017/fudforum/setup/base/src/ |
| H A D | users_reg.inc.t | 15 …var $id, $login, $alias, $passwd, $plaintext_passwd, $name, $email, $location, $occupation, $inter…
47 occupation=".ssn(htmlspecialchars($this->occupation)).",
|
| /dports/www/p5-HTML-FormHandler/HTML-FormHandler-0.40068/t/ |
| H A D | structured.t | 8 occupation => 'Programmer',
59 has_field 'occupation';
117 'occupation' => 'Programmer',
|
| /dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.5/dvb_sp/ |
| H A D | dscf.out | 124 mo occupation :
260 occupation 2.0000 2.0000 2.0000 2.0000 2.0000
269 occupation 2.0000 2.0000 2.0000
274 occupation 2.0000 2.0000
279 occupation 2.0000 2.0000 2.0000 2.0000 2.0000
|
| /dports/games/unnethack/unnethack-5.1.0-20131208/src/ |
| H A D | allmain.c | 432 if (occupation) in moveloop()
563 if(multi >= 0 && occupation) { in moveloop()
574 if (!abort_lev && (*occupation)() == 0) in moveloop()
576 if ((*occupation)() == 0) in moveloop()
578 occupation = 0; in moveloop()
654 if(occupation) { in stop_occupation()
657 occupation = 0; in stop_occupation()
|
| /dports/net/inlets/inlets-3.0.2/vendor/github.com/prometheus/common/common-0.9.1/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/net-mgmt/bind_exporter/bind_exporter-0.4.0/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/net/rclone/rclone-1.57.0/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/databases/prometheus-postgresql-adapter/prometheus-postgresql-adapter-0.6.0/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/net-mgmt/promscale/promscale-0.6.2/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/security/vault/vault-1.8.2/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/databases/redis_exporter/redis_exporter-1.33.0/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/net-im/dendrite/dendrite-0.5.1/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/www/gitlab-pages/gitlab-pages-f8512edbec4ec83b426c8ca2dda467de424685e4/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/security/snowflake-tor/snowflake-ead5a960d7fa19dc890ccbfc0765c5ab6629eaa9/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/security/aws-iam-authenticator/aws-iam-authenticator-0.5.2/vendor/github.com/prometheus/common/common-0.6.0/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/sysutils/chaoskube/chaoskube-0.22.0/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/games/automuteus/automuteus-6.15.2/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/net-mgmt/pushgateway/pushgateway-1.4.2/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|
| /dports/www/grafana8/grafana-8.3.6/vendor/github.com/prometheus/common/model/ |
| H A D | metric_test.go | 172 expected: `{first_name="electro", manufacturer="westinghouse", occupation="robot"}`,
181 expected: `electro{manufacturer="westinghouse", occupation="robot"}`,
|