Searched defs:write_se_param (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_types.F | 670 SUBROUTINE write_se_param(sep, subsys_section) subroutine
675 CHARACTER(len=*), PARAMETER :: routineN = 'write_se_param', routineP = moduleN//':'//routineN argument
680 beta_lab = (/"BETAS", "BETAP", "BETAD", "BETAF"/)
681 CHARACTER(LEN=default_string_length) :: i_string, name
682 INTEGER :: i, l, natorb, ngauss, nr, output_unit, &
683 typ, z local
685 REAL(KIND=dp) :: acoul, alp, app, asp, ass, de, eheat, &
686 eisol, gp2, gpp, gsp, gss, hsp, udd, &
687 uff, upp, uss, zeff
691 REAL(KIND=dp), DIMENSION(2) :: dpddg, ppddg
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_types.F | 670 SUBROUTINE write_se_param(sep, subsys_section) subroutine
675 CHARACTER(len=*), PARAMETER :: routineN = 'write_se_param', routineP = moduleN//':'//routineN argument
680 beta_lab = (/"BETAS", "BETAP", "BETAD", "BETAF"/)
681 CHARACTER(LEN=default_string_length) :: i_string, name
682 INTEGER :: i, l, natorb, ngauss, nr, output_unit, &
683 typ, z local
685 REAL(KIND=dp) :: acoul, alp, app, asp, ass, de, eheat, &
686 eisol, gp2, gpp, gsp, gss, hsp, udd, &
687 uff, upp, uss, zeff
691 REAL(KIND=dp), DIMENSION(2) :: dpddg, ppddg
[all …]
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