| /dports/science/xtb/xtb-6.4.1/src/freq/ |
| H A D | utils.f90 | 32 subroutine massWeightHessian(hessian, atmass) argument
34 real(wp), intent(in) :: atmass(:) local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/ |
| H A D | calc_zora_HFine.F | 878 subroutine get_znuc(atmass, zetanuc) argument
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/ |
| H A D | calc_zora_HFine.F | 878 subroutine get_znuc(atmass, zetanuc) argument
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| /dports/science/xtb/xtb-6.4.1/src/io/writer/ |
| H A D | turbomole.f90 | 167 subroutine writeNormalModesTurbomole(unit, atmass, normalModes) argument
170 real(wp), intent(in) :: atmass(:) !< atom mass local
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| /dports/science/xtb/xtb-6.4.1/src/main/ |
| H A D | geometry.f90 | 540 subroutine print_moments(iunit,n,atmass,xyz) argument
546 real(wp),intent(in) :: atmass(n) local
570 real(wp),intent(in) :: atmass(n) local
603 real(wp),intent(in) :: atmass(n) local
619 real(wp),intent(in) :: atmass(n) local
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| /dports/science/xtb/xtb-6.4.1/src/type/ |
| H A D | molecule.f90 | 94 real(wp),allocatable :: atmass(:) component
623 real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3) local
673 real(wp) :: center(3),atmass,inertia(3,3),axes(3,3) local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | vcsubs.f90 | 13 theta, atmass, cmass, press, p, dt, aveci, avecd, avec2d, avec2di, & argument
49 REAL(DP) :: atmass(mxdtyp) local
448 frr, calc, avmod, theta, atmass, cmass, press, p, dt, avecd, avec2d, & argument
502 REAL(DP) :: atmass(mxdtyp) local
1023 SUBROUTINE ranv( ntype, natot, ityp, atmass, mxdtyp, mxdatm, temp, & argument
1051 REAL(DP) :: atmass (mxdtyp) local
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/libcsg/modules/io/ |
| H A D | xmltopologyreader.cc | 145 double atmass, atq; in ParseMolecule() local
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| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | splitparam.f90 | 36 real(wp),allocatable :: atmass(:) variable
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| /dports/science/nwchem-data/nwchem-7.0.2-release/contrib/qmd_tools/ |
| H A D | qmd_analysis.f90 | 59 double precision,dimension(:),allocatable :: atmass variable
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/qmd_tools/ |
| H A D | qmd_analysis.f90 | 59 double precision,dimension(:),allocatable :: atmass variable
|